2-acetamido-5-(3,5-dimethylphenyl)pentanamide;4-[1-[4-[4-[4-[4-[2-[2-[2-[2-[2-[2-[2-(4,4-dimethylpentoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]triazol-1-yl]butoxy]-2-ethylphenyl]phenyl]propan-2-ylamino]-3-[[2-[[2-[[3-(2-fluorophenyl)-2-[[3-hydroxy-2-[[2-[[2-[[3-[2-(1H-imidazol-5-yl)ethylamino]-2,2-dimethyl-3-oxopropanoyl]amino]-3-(2H-tetrazol-5-yl)propanoyl]amino]acetyl]amino]butanoyl]amino]-2-methylpropanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxypropanoyl]amino]-4-oxobutanoic acid

C101H151FN20O25 — CID 165108948

About 2-acetamido-5-(3,5-dimethylphenyl)pentanamide;4-[1-[4-[4-[4-[4-[2-[2-[2-[2-[2-[2-[2-(4,4-dimethylpentoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]triazol-1-yl]butoxy]-2-ethylphenyl]phenyl]propan-2-ylamino]-3-[[2-[[2-[[3-(2-fluorophenyl)-2-[[3-hydroxy-2-[[2-[[2-[[3-[2-(1H-imidazol-5-yl)ethylamino]-2,2-dimethyl-3-oxopropanoyl]amino]-3-(2H-tetrazol-5-yl)propanoyl]amino]acetyl]amino]butanoyl]amino]-2-methylpropanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxypropanoyl]amino]-4-oxobutanoic acid

2-acetamido-5-(3,5-dimethylphenyl)pentanamide;4-[1-[4-[4-[4-[4-[2-[2-[2-[2-[2-[2-[2-(4,4-dimethylpentoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]triazol-1-yl]butoxy]-2-ethylphenyl]phenyl]propan-2-ylamino]-3-[[2-[[2-[[3-(2-fluorophenyl)-2-[[3-hydroxy-2-[[2-[[2-[[3-[2-(1H-imidazol-5-yl)ethylamino]-2,2-dimethyl-3-oxopropanoyl]amino]-3-(2H-tetrazol-5-yl)propanoyl]amino]acetyl]amino]butanoyl]amino]-2-methylpropanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxypropanoyl]amino]-4-oxobutanoic acid (PubChem CID 165108948) has the molecular formula C101H151FN20O25 and a molecular weight of 2064.43 g/mol. Its IUPAC name is 2-acetamido-5-(3,5-dimethylphenyl)pentanamide;4-[1-[4-[4-[4-[4-[2-[2-[2-[2-[2-[2-[2-(4,4-dimethylpentoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]triazol-1-yl]butoxy]-2-ethylphenyl]phenyl]propan-2-ylamino]-3-[[2-[[2-[[3-(2-fluorophenyl)-2-[[3-hydroxy-2-[[2-[[2-[[3-[2-(1H-imidazol-5-yl)ethylamino]-2,2-dimethyl-3-oxopropanoyl]amino]-3-(2H-tetrazol-5-yl)propanoyl]amino]acetyl]amino]butanoyl]amino]-2-methylpropanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxypropanoyl]amino]-4-oxobutanoic acid.

Molecular Properties

• Compound Name: 2-acetamido-5-(3,5-dimethylphenyl)pentanamide;4-[1-[4-[4-[4-[4-[2-[2-[2-[2-[2-[2-[2-(4,4-dimethylpentoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]triazol-1-yl]butoxy]-2-ethylphenyl]phenyl]propan-2-ylamino]-3-[[2-[[2-[[3-(2-fluorophenyl)-2-[[3-hydroxy-2-[[2-[[2-[[3-[2-(1H-imidazol-5-yl)ethylamino]-2,2-dimethyl-3-oxopropanoyl]amino]-3-(2H-tetrazol-5-yl)propanoyl]amino]acetyl]amino]butanoyl]amino]-2-methylpropanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxypropanoyl]amino]-4-oxobutanoic acid
• PubChem CID: 165108948
• Molecular Formula: C101H151FN20O25
• Molecular Weight: 2064.43 g/mol
• Exact Mass: 2063.11
• IUPAC Name: 2-acetamido-5-(3,5-dimethylphenyl)pentanamide;4-[1-[4-[4-[4-[4-[2-[2-[2-[2-[2-[2-[2-(4,4-dimethylpentoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]triazol-1-yl]butoxy]-2-ethylphenyl]phenyl]propan-2-ylamino]-3-[[2-[[2-[[3-(2-fluorophenyl)-2-[[3-hydroxy-2-[[2-[[2-[[3-[2-(1H-imidazol-5-yl)ethylamino]-2,2-dimethyl-3-oxopropanoyl]amino]-3-(2H-tetrazol-5-yl)propanoyl]amino]acetyl]amino]butanoyl]amino]-2-methylpropanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxypropanoyl]amino]-4-oxobutanoic acid
• SMILES: CC(=O)NC(CCCc1cc(C)cc(C)c1)C(N)=O.CCc1cc(OCCCCn2cc(COCCOCCOCCOCCOCCOCCOCCOCCCC(C)(C)C)nn2)ccc1-c1ccc(CC(C)NC(=O)C(CC(=O)O)NC(=O)C(CO)NC(=O)C(NC(=O)C(C)(Cc2ccccc2F)NC(=O)C(NC(=O)CNC(=O)C(Cc2nn[nH]n2)NC(=O)C(C)(C)C(=O)NCCc2cnc[nH]2)C(C)O)C(C)O)cc1
• InChI: InChI=1S/C86H129FN18O23.C15H22N2O2/c1-11-60-46-65(128-30-15-14-28-105-52-64(99-104-105)54-127-44-43-126-42-41-125-40-39-124-38-37-123-36-35-122-34-33-121-32-31-120-29-16-26-84(5,6)7)23-24-66(60)61-21-19-59(20-22-61)45-56(2)92-77(113)69(48-73(110)111)93-78(114)70(53-106)94-79(115)74(57(3)107)97-83(119)86(10,49-62-17-12-13-18-67(62)87)98-80(116)75(58(4)108)96-72(109)51-90-76(112)68(47-71-100-102-103-101-71)95-82(118)85(8,9)81(117)89-27-25-63-50-88-55-91-63;1-10-7-11(2)9-13(8-10)5-4-6-14(15(16)19)17-12(3)18/h12-13,17-24,46,50,52,55-58,68-70,74-75,106-108H,11,14-16,25-45,47-49,51,53-54H2,1-10H3,(H,88,91)(H,89,117)(H,90,112)(H,92,113)(H,93,114)(H,94,115)(H,95,118)(H,96,109)(H,97,119)(H,98,116)(H,110,111)(H,100,101,102,103);7-9,14H,4-6H2,1-3H3,(H2,16,19)(H,17,18)
• InChIKey: ZPXFIMWBSQAKBK-UHFFFAOYSA-N
• XLogP: 2.38
• TPSA: 629.00 Ų
• H-Bond Donors: 17
• H-Bond Acceptors: 31
• Rotatable Bonds: 71
• Heavy Atoms: 147
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2064.43
LogP ≤ 5	2.38
H-Bond Donors ≤ 5	17
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-5-(3,5-dimethylphenyl)pentanamide;4-[1-[4-[4-[4-[4-[2-[2-[2-[2-[2-[2-[2-(4,4-dimethylpentoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]triazol-1-yl]butoxy]-2-ethylphenyl]phenyl]propan-2-ylamino]-3-[[2-[[2-[[3-(2-fluorophenyl)-2-[[3-hydroxy-2-[[2-[[2-[[3-[2-(1H-imidazol-5-yl)ethylamino]-2,2-dimethyl-3-oxopropanoyl]amino]-3-(2H-tetrazol-5-yl)propanoyl]amino]acetyl]amino]butanoyl]amino]-2-methylpropanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxypropanoyl]amino]-4-oxobutanoic acid?

The IUPAC name of 2-acetamido-5-(3,5-dimethylphenyl)pentanamide;4-[1-[4-[4-[4-[4-[2-[2-[2-[2-[2-[2-[2-(4,4-dimethylpentoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]triazol-1-yl]butoxy]-2-ethylphenyl]phenyl]propan-2-ylamino]-3-[[2-[[2-[[3-(2-fluorophenyl)-2-[[3-hydroxy-2-[[2-[[2-[[3-[2-(1H-imidazol-5-yl)ethylamino]-2,2-dimethyl-3-oxopropanoyl]amino]-3-(2H-tetrazol-5-yl)propanoyl]amino]acetyl]amino]butanoyl]amino]-2-methylpropanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxypropanoyl]amino]-4-oxobutanoic acid (CID 165108948) is 2-acetamido-5-(3,5-dimethylphenyl)pentanamide;4-[1-[4-[4-[4-[4-[2-[2-[2-[2-[2-[2-[2-(4,4-dimethylpentoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]triazol-1-yl]butoxy]-2-ethylphenyl]phenyl]propan-2-ylamino]-3-[[2-[[2-[[3-(2-fluorophenyl)-2-[[3-hydroxy-2-[[2-[[2-[[3-[2-(1H-imidazol-5-yl)ethylamino]-2,2-dimethyl-3-oxopropanoyl]amino]-3-(2H-tetrazol-5-yl)propanoyl]amino]acetyl]amino]butanoyl]amino]-2-methylpropanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxypropanoyl]amino]-4-oxobutanoic acid.

What is the SMILES notation for 2-acetamido-5-(3,5-dimethylphenyl)pentanamide;4-[1-[4-[4-[4-[4-[2-[2-[2-[2-[2-[2-[2-(4,4-dimethylpentoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]triazol-1-yl]butoxy]-2-ethylphenyl]phenyl]propan-2-ylamino]-3-[[2-[[2-[[3-(2-fluorophenyl)-2-[[3-hydroxy-2-[[2-[[2-[[3-[2-(1H-imidazol-5-yl)ethylamino]-2,2-dimethyl-3-oxopropanoyl]amino]-3-(2H-tetrazol-5-yl)propanoyl]amino]acetyl]amino]butanoyl]amino]-2-methylpropanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxypropanoyl]amino]-4-oxobutanoic acid?

The canonical SMILES for 2-acetamido-5-(3,5-dimethylphenyl)pentanamide;4-[1-[4-[4-[4-[4-[2-[2-[2-[2-[2-[2-[2-(4,4-dimethylpentoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]triazol-1-yl]butoxy]-2-ethylphenyl]phenyl]propan-2-ylamino]-3-[[2-[[2-[[3-(2-fluorophenyl)-2-[[3-hydroxy-2-[[2-[[2-[[3-[2-(1H-imidazol-5-yl)ethylamino]-2,2-dimethyl-3-oxopropanoyl]amino]-3-(2H-tetrazol-5-yl)propanoyl]amino]acetyl]amino]butanoyl]amino]-2-methylpropanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxypropanoyl]amino]-4-oxobutanoic acid is CC(=O)NC(CCCc1cc(C)cc(C)c1)C(N)=O.CCc1cc(OCCCCn2cc(COCCOCCOCCOCCOCCOCCOCCOCCCC(C)(C)C)nn2)ccc1-c1ccc(CC(C)NC(=O)C(CC(=O)O)NC(=O)C(CO)NC(=O)C(NC(=O)C(C)(Cc2ccccc2F)NC(=O)C(NC(=O)CNC(=O)C(Cc2nn[nH]n2)NC(=O)C(C)(C)C(=O)NCCc2cnc[nH]2)C(C)O)C(C)O)cc1.

What is the InChIKey of 2-acetamido-5-(3,5-dimethylphenyl)pentanamide;4-[1-[4-[4-[4-[4-[2-[2-[2-[2-[2-[2-[2-(4,4-dimethylpentoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]triazol-1-yl]butoxy]-2-ethylphenyl]phenyl]propan-2-ylamino]-3-[[2-[[2-[[3-(2-fluorophenyl)-2-[[3-hydroxy-2-[[2-[[2-[[3-[2-(1H-imidazol-5-yl)ethylamino]-2,2-dimethyl-3-oxopropanoyl]amino]-3-(2H-tetrazol-5-yl)propanoyl]amino]acetyl]amino]butanoyl]amino]-2-methylpropanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxypropanoyl]amino]-4-oxobutanoic acid?

The InChIKey is ZPXFIMWBSQAKBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C86H129FN18O23.C15H22N2O2/c1-11-60-46-65(128-30-15-14-28-105-52-64(99-104-105)54-127-44-43-126-42-41-125-40-39-124-38-37-123-36-35-122-34-33-121-32-31-120-29-16-26-84(5,6)7)23-24-66(60)61-21-19-59(20-22-61)45-56(2)92-77(113)69(48-73(110)111)93-78(114)70(53-106)94-79(115)74(57(3)107)97-83(119)86(10,49-62-17-12-13-18-67(62)87)98-80(116)75(58(4)108)96-72(109)51-90-76(112)68(47-71-100-102-103-101-71)95-82(118)85(8,9)81(117)89-27-25-63-50-88-55-91-63;1-10-7-11(2)9-13(8-10)5-4-6-14(15(16)19)17-12(3)18/h12-13,17-24,46,50,52,55-58,68-70,74-75,106-108H,11,14-16,25-45,47-49,51,53-54H2,1-10H3,(H,88,91)(H,89,117)(H,90,112)(H,92,113)(H,93,114)(H,94,115)(H,95,118)(H,96,109)(H,97,119)(H,98,116)(H,110,111)(H,100,101,102,103);7-9,14H,4-6H2,1-3H3,(H2,16,19)(H,17,18).

What are the key properties of 2-acetamido-5-(3,5-dimethylphenyl)pentanamide;4-[1-[4-[4-[4-[4-[2-[2-[2-[2-[2-[2-[2-(4,4-dimethylpentoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]triazol-1-yl]butoxy]-2-ethylphenyl]phenyl]propan-2-ylamino]-3-[[2-[[2-[[3-(2-fluorophenyl)-2-[[3-hydroxy-2-[[2-[[2-[[3-[2-(1H-imidazol-5-yl)ethylamino]-2,2-dimethyl-3-oxopropanoyl]amino]-3-(2H-tetrazol-5-yl)propanoyl]amino]acetyl]amino]butanoyl]amino]-2-methylpropanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxypropanoyl]amino]-4-oxobutanoic acid?

2-acetamido-5-(3,5-dimethylphenyl)pentanamide;4-[1-[4-[4-[4-[4-[2-[2-[2-[2-[2-[2-[2-(4,4-dimethylpentoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]triazol-1-yl]butoxy]-2-ethylphenyl]phenyl]propan-2-ylamino]-3-[[2-[[2-[[3-(2-fluorophenyl)-2-[[3-hydroxy-2-[[2-[[2-[[3-[2-(1H-imidazol-5-yl)ethylamino]-2,2-dimethyl-3-oxopropanoyl]amino]-3-(2H-tetrazol-5-yl)propanoyl]amino]acetyl]amino]butanoyl]amino]-2-methylpropanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxypropanoyl]amino]-4-oxobutanoic acid has a molecular weight of 2064.43 g/mol, XLogP of 2.38, 71 rotatable bonds, 17 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 2-acetamido-5-(3,5-dimethylphenyl)pentanamide;4-[1-[4-[4-[4-[4-[2-[2-[2-[2-[2-[2-[2-(4,4-dimethylpentoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]triazol-1-yl]butoxy]-2-ethylphenyl]phenyl]propan-2-ylamino]-3-[[2-[[2-[[3-(2-fluorophenyl)-2-[[3-hydroxy-2-[[2-[[2-[[3-[2-(1H-imidazol-5-yl)ethylamino]-2,2-dimethyl-3-oxopropanoyl]amino]-3-(2H-tetrazol-5-yl)propanoyl]amino]acetyl]amino]butanoyl]amino]-2-methylpropanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxypropanoyl]amino]-4-oxobutanoic acid is sourced from PubChem (CID 165108948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).