N-cyclopentyl-2-[(4-methoxyphenyl)methyl-[2-(3-methylphenyl)acetyl]amino]propanamide

C25H32N2O3 — CID 132985678

IUPACN-cyclopentyl-2-[(4-methoxyphenyl)methyl-[2-(3-methylphenyl)acetyl]amino]propanamide
SMILESCOc1ccc(CN(C(=O)Cc2cccc(C)c2)C(C)C(=O)NC2CCCC2)cc1
InChIInChI=1S/C25H32N2O3/c1-18-7-6-8-21(15-18)16-24(28)27(17-20-11-13-23(30-3)14-12-20)19(2)25(29)26-22-9-4-5-10-22/h6-8,11-15,19,22H,4-5,9-10,16-17H2,1-3H3,(H,26,29)
InChIKeyDPWBINYQBPTDCG-UHFFFAOYSA-N
MW408.54 g/mol
LogP4.02
Rot. Bonds8

About N-cyclopentyl-2-[(4-methoxyphenyl)methyl-[2-(3-methylphenyl)acetyl]amino]propanamide

N-cyclopentyl-2-[(4-methoxyphenyl)methyl-[2-(3-methylphenyl)acetyl]amino]propanamide (PubChem CID 132985678) has the molecular formula C25H32N2O3 and a molecular weight of 408.54 g/mol. Its IUPAC name is N-cyclopentyl-2-[(4-methoxyphenyl)methyl-[2-(3-methylphenyl)acetyl]amino]propanamide.

Molecular Properties

Compound NameN-cyclopentyl-2-[(4-methoxyphenyl)methyl-[2-(3-methylphenyl)acetyl]amino]propanamide
PubChem CID132985678
Molecular FormulaC25H32N2O3
Molecular Weight408.54 g/mol
Exact Mass408.24
IUPAC NameN-cyclopentyl-2-[(4-methoxyphenyl)methyl-[2-(3-methylphenyl)acetyl]amino]propanamide
SMILESCOc1ccc(CN(C(=O)Cc2cccc(C)c2)C(C)C(=O)NC2CCCC2)cc1
InChIInChI=1S/C25H32N2O3/c1-18-7-6-8-21(15-18)16-24(28)27(17-20-11-13-23(30-3)14-12-20)19(2)25(29)26-22-9-4-5-10-22/h6-8,11-15,19,22H,4-5,9-10,16-17H2,1-3H3,(H,26,29)
InChIKeyDPWBINYQBPTDCG-UHFFFAOYSA-N
XLogP4.02
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.54
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclohexyl-2-[[2-(4-methoxyphenyl)acetyl]-[(3-methylphenyl)methyl]amino]propanamide
CID 132947968
N-cyclopentyl-2-[[2-(3-methylphenyl)acetyl]-[(4-methylphenyl)methyl]amino]propanamide
CID 132763256
(2S)-N-cyclohexyl-2-[[2-(3,5-dimethylphenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]propanamide
CID 100516623
(2R)-2-[[2-(3-chlorophenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-cyclohexylpropanamide
CID 100516488
N-cyclohexyl-2-[[2-(3,4-dimethylphenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]propanamide
CID 132611313
(2R)-N-cyclohexyl-2-[[2-(4-methoxyphenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]propanamide
CID 100515547
2-[(4-methoxyphenyl)methyl-[2-(3-methylphenyl)acetyl]amino]-N-propan-2-ylpropanamide
CID 132657637
N-ethyl-2-[(4-methoxyphenyl)methyl-[2-(3-methylphenyl)acetyl]amino]propanamide
CID 132655277
N-cyclopentyl-2-[(4-methoxyphenyl)methyl-[2-(2-methylphenyl)acetyl]amino]propanamide
CID 132985805
N-cyclopentyl-2-[[2-(3,5-dimethylphenoxy)acetyl]-[(4-methoxyphenyl)methyl]amino]propanamide
CID 132611550
N-cyclopentyl-2-[(2-fluorophenyl)methyl-[2-(3-methylphenyl)acetyl]amino]propanamide
CID 133146856
2-[[2-(2-chlorophenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-cyclopentylpropanamide
CID 132610630

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-[(4-methoxyphenyl)methyl-[2-(3-methylphenyl)acetyl]amino]propanamide?
The IUPAC name of N-cyclopentyl-2-[(4-methoxyphenyl)methyl-[2-(3-methylphenyl)acetyl]amino]propanamide (CID 132985678) is N-cyclopentyl-2-[(4-methoxyphenyl)methyl-[2-(3-methylphenyl)acetyl]amino]propanamide.
What is the SMILES notation for N-cyclopentyl-2-[(4-methoxyphenyl)methyl-[2-(3-methylphenyl)acetyl]amino]propanamide?
The canonical SMILES for N-cyclopentyl-2-[(4-methoxyphenyl)methyl-[2-(3-methylphenyl)acetyl]amino]propanamide is COc1ccc(CN(C(=O)Cc2cccc(C)c2)C(C)C(=O)NC2CCCC2)cc1.
What is the InChIKey of N-cyclopentyl-2-[(4-methoxyphenyl)methyl-[2-(3-methylphenyl)acetyl]amino]propanamide?
The InChIKey is DPWBINYQBPTDCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N2O3/c1-18-7-6-8-21(15-18)16-24(28)27(17-20-11-13-23(30-3)14-12-20)19(2)25(29)26-22-9-4-5-10-22/h6-8,11-15,19,22H,4-5,9-10,16-17H2,1-3H3,(H,26,29).
What are the key properties of N-cyclopentyl-2-[(4-methoxyphenyl)methyl-[2-(3-methylphenyl)acetyl]amino]propanamide?
N-cyclopentyl-2-[(4-methoxyphenyl)methyl-[2-(3-methylphenyl)acetyl]amino]propanamide has a molecular weight of 408.54 g/mol, XLogP of 4.02, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-[(4-methoxyphenyl)methyl-[2-(3-methylphenyl)acetyl]amino]propanamide is sourced from PubChem (CID 132985678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).