2-[(3-methoxyphenyl)methyl-(3-phenylpropanoyl)amino]-N-propan-2-ylbutanamide

C24H32N2O3 — CID 132704807

IUPAC2-[(3-methoxyphenyl)methyl-(3-phenylpropanoyl)amino]-N-propan-2-ylbutanamide
SMILESCCC(C(=O)NC(C)C)N(Cc1cccc(OC)c1)C(=O)CCc1ccccc1
InChIInChI=1S/C24H32N2O3/c1-5-22(24(28)25-18(2)3)26(17-20-12-9-13-21(16-20)29-4)23(27)15-14-19-10-7-6-8-11-19/h6-13,16,18,22H,5,14-15,17H2,1-4H3,(H,25,28)
InChIKeyXSRKERBQGAKNLJ-UHFFFAOYSA-N
MW396.53 g/mol
LogP3.96
Rot. Bonds10

About 2-[(3-methoxyphenyl)methyl-(3-phenylpropanoyl)amino]-N-propan-2-ylbutanamide

2-[(3-methoxyphenyl)methyl-(3-phenylpropanoyl)amino]-N-propan-2-ylbutanamide (PubChem CID 132704807) has the molecular formula C24H32N2O3 and a molecular weight of 396.53 g/mol. Its IUPAC name is 2-[(3-methoxyphenyl)methyl-(3-phenylpropanoyl)amino]-N-propan-2-ylbutanamide.

Molecular Properties

Compound Name2-[(3-methoxyphenyl)methyl-(3-phenylpropanoyl)amino]-N-propan-2-ylbutanamide
PubChem CID132704807
Molecular FormulaC24H32N2O3
Molecular Weight396.53 g/mol
Exact Mass396.24
IUPAC Name2-[(3-methoxyphenyl)methyl-(3-phenylpropanoyl)amino]-N-propan-2-ylbutanamide
SMILESCCC(C(=O)NC(C)C)N(Cc1cccc(OC)c1)C(=O)CCc1ccccc1
InChIInChI=1S/C24H32N2O3/c1-5-22(24(28)25-18(2)3)26(17-20-12-9-13-21(16-20)29-4)23(27)15-14-19-10-7-6-8-11-19/h6-13,16,18,22H,5,14-15,17H2,1-4H3,(H,25,28)
InChIKeyXSRKERBQGAKNLJ-UHFFFAOYSA-N
XLogP3.96
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.53
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[(3-methoxyphenyl)methyl-(3-phenylpropanoyl)amino]-N-propan-2-ylbutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(3-methoxyphenyl)methyl-(2-phenylacetyl)amino]-N-propan-2-ylbutanamide
CID 132703131
(2S)-2-[3-(4-ethylphenyl)propanoyl-[(3-methoxyphenyl)methyl]amino]-3-phenyl-N-propan-2-ylpropanamide
CID 100549967
2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)propanoyl-[(3-methoxyphenyl)methyl]amino]-N-propan-2-ylbutanamide
CID 132718073
(2R)-2-[3-(3,4-dimethoxyphenyl)propanoyl-[(3-methoxyphenyl)methyl]amino]-3-phenyl-N-propan-2-ylpropanamide
CID 100549915
N-ethyl-2-[(3-methoxyphenyl)methyl-[3-(4-methylphenyl)propanoyl]amino]butanamide
CID 132660532
2-[(3-methoxyphenyl)methyl-[4-(4-methylphenoxy)butanoyl]amino]-N-propan-2-ylbutanamide
CID 132714136
2-[(3-methoxyphenyl)methyl-[3-(4-methylphenyl)propanoyl]amino]-N-propan-2-ylpropanamide
CID 132660550
2-[[2-(4-chlorophenyl)acetyl]-[(3-methoxyphenyl)methyl]amino]-N-propan-2-ylbutanamide
CID 132708466
(2R)-2-[3-(4-tert-butylphenyl)propanoyl-[(3-methoxyphenyl)methyl]amino]-N-(2-methylpropyl)butanamide
CID 100500273
(2R)-2-[3-(4-tert-butylphenyl)propanoyl-[(3-methoxyphenyl)methyl]amino]-N-propylbutanamide
CID 100608946
(2S)-2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)propanoyl-[(3-methoxyphenyl)methyl]amino]-3-phenyl-N-propan-2-ylpropanamide
CID 100550358
N-cyclopentyl-2-[(3-methoxyphenyl)methyl-[3-(4-methylphenyl)propanoyl]amino]butanamide
CID 132611390

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methoxyphenyl)methyl-(3-phenylpropanoyl)amino]-N-propan-2-ylbutanamide?
The IUPAC name of 2-[(3-methoxyphenyl)methyl-(3-phenylpropanoyl)amino]-N-propan-2-ylbutanamide (CID 132704807) is 2-[(3-methoxyphenyl)methyl-(3-phenylpropanoyl)amino]-N-propan-2-ylbutanamide.
What is the SMILES notation for 2-[(3-methoxyphenyl)methyl-(3-phenylpropanoyl)amino]-N-propan-2-ylbutanamide?
The canonical SMILES for 2-[(3-methoxyphenyl)methyl-(3-phenylpropanoyl)amino]-N-propan-2-ylbutanamide is CCC(C(=O)NC(C)C)N(Cc1cccc(OC)c1)C(=O)CCc1ccccc1.
What is the InChIKey of 2-[(3-methoxyphenyl)methyl-(3-phenylpropanoyl)amino]-N-propan-2-ylbutanamide?
The InChIKey is XSRKERBQGAKNLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O3/c1-5-22(24(28)25-18(2)3)26(17-20-12-9-13-21(16-20)29-4)23(27)15-14-19-10-7-6-8-11-19/h6-13,16,18,22H,5,14-15,17H2,1-4H3,(H,25,28).
What are the key properties of 2-[(3-methoxyphenyl)methyl-(3-phenylpropanoyl)amino]-N-propan-2-ylbutanamide?
2-[(3-methoxyphenyl)methyl-(3-phenylpropanoyl)amino]-N-propan-2-ylbutanamide has a molecular weight of 396.53 g/mol, XLogP of 3.96, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methoxyphenyl)methyl-(3-phenylpropanoyl)amino]-N-propan-2-ylbutanamide is sourced from PubChem (CID 132704807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).