2-[(3-methoxyphenyl)methyl-[3-(4-methylphenyl)propanoyl]amino]-N-propan-2-ylpropanamide

C24H32N2O3 — CID 132660550

IUPAC2-[(3-methoxyphenyl)methyl-[3-(4-methylphenyl)propanoyl]amino]-N-propan-2-ylpropanamide
SMILESCOc1cccc(CN(C(=O)CCc2ccc(C)cc2)C(C)C(=O)NC(C)C)c1
InChIInChI=1S/C24H32N2O3/c1-17(2)25-24(28)19(4)26(16-21-7-6-8-22(15-21)29-5)23(27)14-13-20-11-9-18(3)10-12-20/h6-12,15,17,19H,13-14,16H2,1-5H3,(H,25,28)
InChIKeyXRFXXHQXWQLTOM-UHFFFAOYSA-N
MW396.53 g/mol
LogP3.88
Rot. Bonds9

About 2-[(3-methoxyphenyl)methyl-[3-(4-methylphenyl)propanoyl]amino]-N-propan-2-ylpropanamide

2-[(3-methoxyphenyl)methyl-[3-(4-methylphenyl)propanoyl]amino]-N-propan-2-ylpropanamide (PubChem CID 132660550) has the molecular formula C24H32N2O3 and a molecular weight of 396.53 g/mol. Its IUPAC name is 2-[(3-methoxyphenyl)methyl-[3-(4-methylphenyl)propanoyl]amino]-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name2-[(3-methoxyphenyl)methyl-[3-(4-methylphenyl)propanoyl]amino]-N-propan-2-ylpropanamide
PubChem CID132660550
Molecular FormulaC24H32N2O3
Molecular Weight396.53 g/mol
Exact Mass396.24
IUPAC Name2-[(3-methoxyphenyl)methyl-[3-(4-methylphenyl)propanoyl]amino]-N-propan-2-ylpropanamide
SMILESCOc1cccc(CN(C(=O)CCc2ccc(C)cc2)C(C)C(=O)NC(C)C)c1
InChIInChI=1S/C24H32N2O3/c1-17(2)25-24(28)19(4)26(16-21-7-6-8-22(15-21)29-5)23(27)14-13-20-11-9-18(3)10-12-20/h6-12,15,17,19H,13-14,16H2,1-5H3,(H,25,28)
InChIKeyXRFXXHQXWQLTOM-UHFFFAOYSA-N
XLogP3.88
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.53
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[3-(4-tert-butylphenyl)propanoyl-[(3-methoxyphenyl)methyl]amino]-N-propan-2-ylpropanamide
CID 100713930
2-[(3-methoxyphenyl)methyl-[3-(4-methylphenyl)sulfanylpropanoyl]amino]-N-propan-2-ylpropanamide
CID 132668548
(2S)-2-[3-(1,3-benzodioxol-5-yl)propanoyl-[(3-methoxyphenyl)methyl]amino]-N-propan-2-ylpropanamide
CID 100715356
(2R)-2-[3-(1,3-benzodioxol-5-yl)propanoyl-[(3-methoxyphenyl)methyl]amino]-N-propan-2-ylpropanamide
CID 100715364
(2S)-N-[(2S)-butan-2-yl]-2-[(3-methoxyphenyl)methyl-[3-(4-propan-2-ylphenyl)propanoyl]amino]propanamide
CID 100607525
2-[(3-methoxyphenyl)methyl-(3-phenylpropanoyl)amino]-N-propan-2-ylbutanamide
CID 132704807
(2S)-2-[(3-methoxyphenyl)methyl-[2-(4-methyl-N-methylsulfonylanilino)acetyl]amino]-N-propan-2-ylpropanamide
CID 100712599
(2R)-2-[3-(3,4-dimethoxyphenyl)propanoyl-[(3-methylphenyl)methyl]amino]-N-propan-2-ylpropanamide
CID 100661223
N-ethyl-2-[(3-methoxyphenyl)methyl-[3-(4-methylphenyl)propanoyl]amino]butanamide
CID 132660532
(2S)-2-[[2-(3,5-dimethylphenoxy)acetyl]-[(3-methoxyphenyl)methyl]amino]-N-propan-2-ylpropanamide
CID 100714038
2-[[2-(3,5-dimethylphenoxy)acetyl]-[(3-methoxyphenyl)methyl]amino]-N-propan-2-ylpropanamide
CID 132664110
N-tert-butyl-2-[(3-methoxyphenyl)methyl-(3-phenylpropanoyl)amino]propanamide
CID 132704905

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methoxyphenyl)methyl-[3-(4-methylphenyl)propanoyl]amino]-N-propan-2-ylpropanamide?
The IUPAC name of 2-[(3-methoxyphenyl)methyl-[3-(4-methylphenyl)propanoyl]amino]-N-propan-2-ylpropanamide (CID 132660550) is 2-[(3-methoxyphenyl)methyl-[3-(4-methylphenyl)propanoyl]amino]-N-propan-2-ylpropanamide.
What is the SMILES notation for 2-[(3-methoxyphenyl)methyl-[3-(4-methylphenyl)propanoyl]amino]-N-propan-2-ylpropanamide?
The canonical SMILES for 2-[(3-methoxyphenyl)methyl-[3-(4-methylphenyl)propanoyl]amino]-N-propan-2-ylpropanamide is COc1cccc(CN(C(=O)CCc2ccc(C)cc2)C(C)C(=O)NC(C)C)c1.
What is the InChIKey of 2-[(3-methoxyphenyl)methyl-[3-(4-methylphenyl)propanoyl]amino]-N-propan-2-ylpropanamide?
The InChIKey is XRFXXHQXWQLTOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O3/c1-17(2)25-24(28)19(4)26(16-21-7-6-8-22(15-21)29-5)23(27)14-13-20-11-9-18(3)10-12-20/h6-12,15,17,19H,13-14,16H2,1-5H3,(H,25,28).
What are the key properties of 2-[(3-methoxyphenyl)methyl-[3-(4-methylphenyl)propanoyl]amino]-N-propan-2-ylpropanamide?
2-[(3-methoxyphenyl)methyl-[3-(4-methylphenyl)propanoyl]amino]-N-propan-2-ylpropanamide has a molecular weight of 396.53 g/mol, XLogP of 3.88, 9 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-(4-methylphenyl)propanoyl]amino]-N-propan-2-ylpropanamide is sourced from PubChem (CID 132660550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).