2-[(4-methoxyphenyl)methyl-propanoylamino]-N-pentyl-3-phenylpropanamide

C25H34N2O3 — CID 133240945

IUPAC2-[(4-methoxyphenyl)methyl-propanoylamino]-N-pentyl-3-phenylpropanamide
SMILESCCCCCNC(=O)C(Cc1ccccc1)N(Cc1ccc(OC)cc1)C(=O)CC
InChIInChI=1S/C25H34N2O3/c1-4-6-10-17-26-25(29)23(18-20-11-8-7-9-12-20)27(24(28)5-2)19-21-13-15-22(30-3)16-14-21/h7-9,11-16,23H,4-6,10,17-19H2,1-3H3,(H,26,29)
InChIKeyUTEOCYSIWSQYIB-UHFFFAOYSA-N
MW410.56 g/mol
LogP4.35
Rot. Bonds12

About 2-[(4-methoxyphenyl)methyl-propanoylamino]-N-pentyl-3-phenylpropanamide

2-[(4-methoxyphenyl)methyl-propanoylamino]-N-pentyl-3-phenylpropanamide (PubChem CID 133240945) has the molecular formula C25H34N2O3 and a molecular weight of 410.56 g/mol. Its IUPAC name is 2-[(4-methoxyphenyl)methyl-propanoylamino]-N-pentyl-3-phenylpropanamide.

Molecular Properties

Compound Name2-[(4-methoxyphenyl)methyl-propanoylamino]-N-pentyl-3-phenylpropanamide
PubChem CID133240945
Molecular FormulaC25H34N2O3
Molecular Weight410.56 g/mol
Exact Mass410.26
IUPAC Name2-[(4-methoxyphenyl)methyl-propanoylamino]-N-pentyl-3-phenylpropanamide
SMILESCCCCCNC(=O)C(Cc1ccccc1)N(Cc1ccc(OC)cc1)C(=O)CC
InChIInChI=1S/C25H34N2O3/c1-4-6-10-17-26-25(29)23(18-20-11-8-7-9-12-20)27(24(28)5-2)19-21-13-15-22(30-3)16-14-21/h7-9,11-16,23H,4-6,10,17-19H2,1-3H3,(H,26,29)
InChIKeyUTEOCYSIWSQYIB-UHFFFAOYSA-N
XLogP4.35
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.56
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[(4-methoxyphenyl)methyl-(2-phenoxyacetyl)amino]-N-pentyl-3-phenylpropanamide
CID 133236729
2-[(4-methoxyphenyl)methyl-[2-[methyl(methylsulfonyl)amino]acetyl]amino]-N-pentyl-3-phenylpropanamide
CID 133236484
(2R)-2-[benzyl-[2-(4-methoxyphenoxy)acetyl]amino]-N-butyl-3-phenylpropanamide
CID 100579080
N-[1-(3-hydroxypropylamino)-1-oxo-3-phenylpropan-2-yl]-N-[(4-methoxyphenyl)methyl]butanamide
CID 133236541
N-benzyl-N-[(2R)-1-(butylamino)-1-oxo-3-phenylpropan-2-yl]-4-(4-methoxyphenoxy)butanamide
CID 100583526
(2S)-N-butyl-2-[(4-methylphenyl)methyl-propanoylamino]-3-phenylpropanamide
CID 100606085
(2S)-N-butyl-2-[[2-(4-methoxyphenyl)acetyl]-[(3-methoxyphenyl)methyl]amino]-3-phenylpropanamide
CID 100712142
N-butyl-2-[(2-fluorophenyl)methyl-[2-(4-methoxyphenyl)acetyl]amino]-3-phenylpropanamide
CID 133232014
2-[acetyl-[(4-methoxyphenyl)methyl]amino]-N-(3-ethoxypropyl)-3-phenylpropanamide
CID 133236504
(2R)-N-butyl-2-[[2-[(4-methoxyphenyl)methylsulfanyl]acetyl]-[(4-methylphenyl)methyl]amino]-3-phenylpropanamide
CID 100598963
2-[acetyl-[(4-methoxyphenyl)methyl]amino]-N-(3-hydroxypropyl)-3-phenylpropanamide
CID 133236493
N-benzyl-4-(4-methoxyphenoxy)-N-[1-oxo-3-phenyl-1-(propylamino)propan-2-yl]butanamide
CID 132617832

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxyphenyl)methyl-propanoylamino]-N-pentyl-3-phenylpropanamide?
The IUPAC name of 2-[(4-methoxyphenyl)methyl-propanoylamino]-N-pentyl-3-phenylpropanamide (CID 133240945) is 2-[(4-methoxyphenyl)methyl-propanoylamino]-N-pentyl-3-phenylpropanamide.
What is the SMILES notation for 2-[(4-methoxyphenyl)methyl-propanoylamino]-N-pentyl-3-phenylpropanamide?
The canonical SMILES for 2-[(4-methoxyphenyl)methyl-propanoylamino]-N-pentyl-3-phenylpropanamide is CCCCCNC(=O)C(Cc1ccccc1)N(Cc1ccc(OC)cc1)C(=O)CC.
What is the InChIKey of 2-[(4-methoxyphenyl)methyl-propanoylamino]-N-pentyl-3-phenylpropanamide?
The InChIKey is UTEOCYSIWSQYIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N2O3/c1-4-6-10-17-26-25(29)23(18-20-11-8-7-9-12-20)27(24(28)5-2)19-21-13-15-22(30-3)16-14-21/h7-9,11-16,23H,4-6,10,17-19H2,1-3H3,(H,26,29).
What are the key properties of 2-[(4-methoxyphenyl)methyl-propanoylamino]-N-pentyl-3-phenylpropanamide?
2-[(4-methoxyphenyl)methyl-propanoylamino]-N-pentyl-3-phenylpropanamide has a molecular weight of 410.56 g/mol, XLogP of 4.35, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxyphenyl)methyl-propanoylamino]-N-pentyl-3-phenylpropanamide is sourced from PubChem (CID 133240945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).