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

C23H30N2O3 — CID 132657637

IUPAC2-[(4-methoxyphenyl)methyl-[2-(3-methylphenyl)acetyl]amino]-N-propan-2-ylpropanamide
SMILESCOc1ccc(CN(C(=O)Cc2cccc(C)c2)C(C)C(=O)NC(C)C)cc1
InChIInChI=1S/C23H30N2O3/c1-16(2)24-23(27)18(4)25(15-19-9-11-21(28-5)12-10-19)22(26)14-20-8-6-7-17(3)13-20/h6-13,16,18H,14-15H2,1-5H3,(H,24,27)
InChIKeyHRCFIVYDGOUSHT-UHFFFAOYSA-N
MW382.50 g/mol
LogP3.49
Rot. Bonds8

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

2-[(4-methoxyphenyl)methyl-[2-(3-methylphenyl)acetyl]amino]-N-propan-2-ylpropanamide (PubChem CID 132657637) has the molecular formula C23H30N2O3 and a molecular weight of 382.50 g/mol. Its IUPAC name is 2-[(4-methoxyphenyl)methyl-[2-(3-methylphenyl)acetyl]amino]-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name2-[(4-methoxyphenyl)methyl-[2-(3-methylphenyl)acetyl]amino]-N-propan-2-ylpropanamide
PubChem CID132657637
Molecular FormulaC23H30N2O3
Molecular Weight382.50 g/mol
Exact Mass382.23
IUPAC Name2-[(4-methoxyphenyl)methyl-[2-(3-methylphenyl)acetyl]amino]-N-propan-2-ylpropanamide
SMILESCOc1ccc(CN(C(=O)Cc2cccc(C)c2)C(C)C(=O)NC(C)C)cc1
InChIInChI=1S/C23H30N2O3/c1-16(2)24-23(27)18(4)25(15-19-9-11-21(28-5)12-10-19)22(26)14-20-8-6-7-17(3)13-20/h6-13,16,18H,14-15H2,1-5H3,(H,24,27)
InChIKeyHRCFIVYDGOUSHT-UHFFFAOYSA-N
XLogP3.49
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.50
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-2-[(4-methoxyphenyl)methyl-[2-(3-methylphenyl)acetyl]amino]propanamide
CID 132655277
(2S)-2-[[2-(3,4-dimethylphenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-propan-2-ylpropanamide
CID 100719209
(2R)-N-[(2R)-butan-2-yl]-2-[[2-(4-methoxyphenyl)acetyl]-[(3-methylphenyl)methyl]amino]propanamide
CID 100538978
N-cyclopentyl-2-[(4-methoxyphenyl)methyl-[2-(3-methylphenyl)acetyl]amino]propanamide
CID 132985678
(2R)-2-[[2-(3,4-dimethylphenyl)acetyl]-[(3-methylphenyl)methyl]amino]-N-propan-2-ylpropanamide
CID 100660125
N-butan-2-yl-2-[(4-methoxyphenyl)methyl-[2-(3-methylphenyl)acetyl]amino]butanamide
CID 132707050
N-cyclohexyl-2-[[2-(4-methoxyphenyl)acetyl]-[(3-methylphenyl)methyl]amino]propanamide
CID 132947968
(2R)-2-[[2-(2,6-dichlorophenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-propan-2-ylpropanamide
CID 100720801
(2S)-N-[(2R)-butan-2-yl]-2-[[2-(3-chlorophenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]propanamide
CID 100624357
(2R)-2-[[2-(2-chlorophenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-propan-2-ylpropanamide
CID 100720693
2-[benzyl-[2-(3-methylphenyl)acetyl]amino]-N-butan-2-ylpropanamide
CID 132701697
(2S)-2-[(2,6-dichlorophenyl)methyl-[2-(3-methylphenyl)acetyl]amino]-N-propan-2-ylpropanamide
CID 100711200

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxyphenyl)methyl-[2-(3-methylphenyl)acetyl]amino]-N-propan-2-ylpropanamide?
The IUPAC name of 2-[(4-methoxyphenyl)methyl-[2-(3-methylphenyl)acetyl]amino]-N-propan-2-ylpropanamide (CID 132657637) is 2-[(4-methoxyphenyl)methyl-[2-(3-methylphenyl)acetyl]amino]-N-propan-2-ylpropanamide.
What is the SMILES notation for 2-[(4-methoxyphenyl)methyl-[2-(3-methylphenyl)acetyl]amino]-N-propan-2-ylpropanamide?
The canonical SMILES for 2-[(4-methoxyphenyl)methyl-[2-(3-methylphenyl)acetyl]amino]-N-propan-2-ylpropanamide is COc1ccc(CN(C(=O)Cc2cccc(C)c2)C(C)C(=O)NC(C)C)cc1.
What is the InChIKey of 2-[(4-methoxyphenyl)methyl-[2-(3-methylphenyl)acetyl]amino]-N-propan-2-ylpropanamide?
The InChIKey is HRCFIVYDGOUSHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O3/c1-16(2)24-23(27)18(4)25(15-19-9-11-21(28-5)12-10-19)22(26)14-20-8-6-7-17(3)13-20/h6-13,16,18H,14-15H2,1-5H3,(H,24,27).
What are the key properties of 2-[(4-methoxyphenyl)methyl-[2-(3-methylphenyl)acetyl]amino]-N-propan-2-ylpropanamide?
2-[(4-methoxyphenyl)methyl-[2-(3-methylphenyl)acetyl]amino]-N-propan-2-ylpropanamide has a molecular weight of 382.50 g/mol, XLogP of 3.49, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxyphenyl)methyl-[2-(3-methylphenyl)acetyl]amino]-N-propan-2-ylpropanamide is sourced from PubChem (CID 132657637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).