2-[(3-methoxyphenyl)methyl-[4-(4-methylphenoxy)butanoyl]amino]-N-propan-2-ylbutanamide

C26H36N2O4 — CID 132714136

IUPAC2-[(3-methoxyphenyl)methyl-[4-(4-methylphenoxy)butanoyl]amino]-N-propan-2-ylbutanamide
SMILESCCC(C(=O)NC(C)C)N(Cc1cccc(OC)c1)C(=O)CCCOc1ccc(C)cc1
InChIInChI=1S/C26H36N2O4/c1-6-24(26(30)27-19(2)3)28(18-21-9-7-10-23(17-21)31-5)25(29)11-8-16-32-22-14-12-20(4)13-15-22/h7,9-10,12-15,17,19,24H,6,8,11,16,18H2,1-5H3,(H,27,30)
InChIKeyHVYNGBYSBHOGFI-UHFFFAOYSA-N
MW440.58 g/mol
LogP4.49
Rot. Bonds12

About 2-[(3-methoxyphenyl)methyl-[4-(4-methylphenoxy)butanoyl]amino]-N-propan-2-ylbutanamide

2-[(3-methoxyphenyl)methyl-[4-(4-methylphenoxy)butanoyl]amino]-N-propan-2-ylbutanamide (PubChem CID 132714136) has the molecular formula C26H36N2O4 and a molecular weight of 440.58 g/mol. Its IUPAC name is 2-[(3-methoxyphenyl)methyl-[4-(4-methylphenoxy)butanoyl]amino]-N-propan-2-ylbutanamide.

Molecular Properties

Compound Name2-[(3-methoxyphenyl)methyl-[4-(4-methylphenoxy)butanoyl]amino]-N-propan-2-ylbutanamide
PubChem CID132714136
Molecular FormulaC26H36N2O4
Molecular Weight440.58 g/mol
Exact Mass440.27
IUPAC Name2-[(3-methoxyphenyl)methyl-[4-(4-methylphenoxy)butanoyl]amino]-N-propan-2-ylbutanamide
SMILESCCC(C(=O)NC(C)C)N(Cc1cccc(OC)c1)C(=O)CCCOc1ccc(C)cc1
InChIInChI=1S/C26H36N2O4/c1-6-24(26(30)27-19(2)3)28(18-21-9-7-10-23(17-21)31-5)25(29)11-8-16-32-22-14-12-20(4)13-15-22/h7,9-10,12-15,17,19,24H,6,8,11,16,18H2,1-5H3,(H,27,30)
InChIKeyHVYNGBYSBHOGFI-UHFFFAOYSA-N
XLogP4.49
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.58
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-butan-2-yl-2-[(3-methoxyphenyl)methyl-[4-(4-methylphenoxy)butanoyl]amino]butanamide
CID 132718133
4-(4-methoxyphenoxy)-N-[(3-methoxyphenyl)methyl]-N-[(2S)-1-oxo-3-phenyl-1-(propan-2-ylamino)propan-2-yl]butanamide
CID 100549072
(2R)-N-[(2S)-butan-2-yl]-2-[4-(4-methylphenoxy)butanoyl-[(3-methylphenyl)methyl]amino]butanamide
CID 100672825
4-(4-methoxyphenoxy)-N-[(3-methylphenyl)methyl]-N-[1-oxo-3-phenyl-1-(propan-2-ylamino)propan-2-yl]butanamide
CID 133196015
2-[4-(4-chlorophenoxy)butanoyl-[(3-methoxyphenyl)methyl]amino]-N-(2-methylpropyl)butanamide
CID 132723651
2-[(3-methoxyphenyl)methyl-(3-phenylpropanoyl)amino]-N-propan-2-ylbutanamide
CID 132704807
N-[(2S)-1-[[(2R)-butan-2-yl]amino]-1-oxopropan-2-yl]-4-(4-methoxyphenoxy)-N-[(3-methoxyphenyl)methyl]butanamide
CID 100605624
2-[4-(4-ethoxy-N-methylsulfonylanilino)butanoyl-[(3-methoxyphenyl)methyl]amino]-N-propan-2-ylbutanamide
CID 132737719
(2R)-2-[[2-(N-(4-ethoxyphenyl)sulfonyl-4-methylanilino)acetyl]-[(3-methoxyphenyl)methyl]amino]-N-propan-2-ylbutanamide
CID 125045353
2-[4-(4-chlorophenyl)sulfanylbutanoyl-[(3-methoxyphenyl)methyl]amino]-N-propan-2-ylbutanamide
CID 132724120
2-[(3-methoxyphenyl)methyl-(2-phenylacetyl)amino]-N-propan-2-ylbutanamide
CID 132703131
N-butyl-2-[(3-methoxyphenyl)methyl-[2-(4-methylphenoxy)acetyl]amino]butanamide
CID 132710477

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methoxyphenyl)methyl-[4-(4-methylphenoxy)butanoyl]amino]-N-propan-2-ylbutanamide?
The IUPAC name of 2-[(3-methoxyphenyl)methyl-[4-(4-methylphenoxy)butanoyl]amino]-N-propan-2-ylbutanamide (CID 132714136) is 2-[(3-methoxyphenyl)methyl-[4-(4-methylphenoxy)butanoyl]amino]-N-propan-2-ylbutanamide.
What is the SMILES notation for 2-[(3-methoxyphenyl)methyl-[4-(4-methylphenoxy)butanoyl]amino]-N-propan-2-ylbutanamide?
The canonical SMILES for 2-[(3-methoxyphenyl)methyl-[4-(4-methylphenoxy)butanoyl]amino]-N-propan-2-ylbutanamide is CCC(C(=O)NC(C)C)N(Cc1cccc(OC)c1)C(=O)CCCOc1ccc(C)cc1.
What is the InChIKey of 2-[(3-methoxyphenyl)methyl-[4-(4-methylphenoxy)butanoyl]amino]-N-propan-2-ylbutanamide?
The InChIKey is HVYNGBYSBHOGFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N2O4/c1-6-24(26(30)27-19(2)3)28(18-21-9-7-10-23(17-21)31-5)25(29)11-8-16-32-22-14-12-20(4)13-15-22/h7,9-10,12-15,17,19,24H,6,8,11,16,18H2,1-5H3,(H,27,30).
What are the key properties of 2-[(3-methoxyphenyl)methyl-[4-(4-methylphenoxy)butanoyl]amino]-N-propan-2-ylbutanamide?
2-[(3-methoxyphenyl)methyl-[4-(4-methylphenoxy)butanoyl]amino]-N-propan-2-ylbutanamide has a molecular weight of 440.58 g/mol, XLogP of 4.49, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methoxyphenyl)methyl-[4-(4-methylphenoxy)butanoyl]amino]-N-propan-2-ylbutanamide is sourced from PubChem (CID 132714136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).