N-cyclopentyl-2-[(3-methylphenyl)methyl-propanoylamino]-3-phenylpropanamide

C25H32N2O2 — CID 133264327

IUPACN-cyclopentyl-2-[(3-methylphenyl)methyl-propanoylamino]-3-phenylpropanamide
SMILESCCC(=O)N(Cc1cccc(C)c1)C(Cc1ccccc1)C(=O)NC1CCCC1
InChIInChI=1S/C25H32N2O2/c1-3-24(28)27(18-21-13-9-10-19(2)16-21)23(17-20-11-5-4-6-12-20)25(29)26-22-14-7-8-15-22/h4-6,9-13,16,22-23H,3,7-8,14-15,17-18H2,1-2H3,(H,26,29)
InChIKeyPEPHGBZENUBWMD-UHFFFAOYSA-N
MW392.54 g/mol
LogP4.40
Rot. Bonds8

About N-cyclopentyl-2-[(3-methylphenyl)methyl-propanoylamino]-3-phenylpropanamide

N-cyclopentyl-2-[(3-methylphenyl)methyl-propanoylamino]-3-phenylpropanamide (PubChem CID 133264327) has the molecular formula C25H32N2O2 and a molecular weight of 392.54 g/mol. Its IUPAC name is N-cyclopentyl-2-[(3-methylphenyl)methyl-propanoylamino]-3-phenylpropanamide.

Molecular Properties

Compound NameN-cyclopentyl-2-[(3-methylphenyl)methyl-propanoylamino]-3-phenylpropanamide
PubChem CID133264327
Molecular FormulaC25H32N2O2
Molecular Weight392.54 g/mol
Exact Mass392.25
IUPAC NameN-cyclopentyl-2-[(3-methylphenyl)methyl-propanoylamino]-3-phenylpropanamide
SMILESCCC(=O)N(Cc1cccc(C)c1)C(Cc1ccccc1)C(=O)NC1CCCC1
InChIInChI=1S/C25H32N2O2/c1-3-24(28)27(18-21-13-9-10-19(2)16-21)23(17-20-11-5-4-6-12-20)25(29)26-22-14-7-8-15-22/h4-6,9-13,16,22-23H,3,7-8,14-15,17-18H2,1-2H3,(H,26,29)
InChIKeyPEPHGBZENUBWMD-UHFFFAOYSA-N
XLogP4.40
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.54
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-N-cyclohexyl-2-[(3-methylphenyl)methyl-(2-phenylacetyl)amino]-3-phenylpropanamide
CID 100581156
2-[benzyl-[2-(3-methylphenyl)acetyl]amino]-N-cyclopentyl-3-phenylpropanamide
CID 133263660
N-cyclopentyl-2-[[2-(2,5-dimethylphenyl)acetyl]-[(3-methylphenyl)methyl]amino]-3-phenylpropanamide
CID 133264274
(2S)-N-cyclohexyl-2-[[2-(3-methylphenoxy)acetyl]-[(3-methylphenyl)methyl]amino]-3-phenylpropanamide
CID 100585608
(2S)-N-cyclohexyl-2-[(3-methylphenyl)methyl-(2-phenylsulfanylacetyl)amino]-3-phenylpropanamide
CID 100581169
N-cyclohexyl-2-[[2-(2-fluorophenyl)acetyl]-[(3-methylphenyl)methyl]amino]-3-phenylpropanamide
CID 133176531
(2R)-N-cyclohexyl-2-[[2-(4-methylphenoxy)acetyl]-[(3-methylphenyl)methyl]amino]-3-phenylpropanamide
CID 100585638
N-cyclopentyl-2-[[2-(2-methylphenoxy)acetyl]-[(3-methylphenyl)methyl]amino]-3-phenylpropanamide
CID 133263999
N-cyclopentyl-2-[[2-(3-methylphenyl)acetyl]-[(2-methylphenyl)methyl]amino]-3-phenylpropanamide
CID 133263995
2-[(4-bromophenyl)methyl-[2-(3-methylphenyl)acetyl]amino]-N-cyclopentyl-3-phenylpropanamide
CID 133250912
(2R)-N-cyclohexyl-2-[[2-(3,4-dichlorophenyl)acetyl]-[(3-methylphenyl)methyl]amino]-3-phenylpropanamide
CID 100585890
2-[benzyl-[2-(3-methylphenoxy)acetyl]amino]-N-cyclohexyl-3-phenylpropanamide
CID 133175864

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-[(3-methylphenyl)methyl-propanoylamino]-3-phenylpropanamide?
The IUPAC name of N-cyclopentyl-2-[(3-methylphenyl)methyl-propanoylamino]-3-phenylpropanamide (CID 133264327) is N-cyclopentyl-2-[(3-methylphenyl)methyl-propanoylamino]-3-phenylpropanamide.
What is the SMILES notation for N-cyclopentyl-2-[(3-methylphenyl)methyl-propanoylamino]-3-phenylpropanamide?
The canonical SMILES for N-cyclopentyl-2-[(3-methylphenyl)methyl-propanoylamino]-3-phenylpropanamide is CCC(=O)N(Cc1cccc(C)c1)C(Cc1ccccc1)C(=O)NC1CCCC1.
What is the InChIKey of N-cyclopentyl-2-[(3-methylphenyl)methyl-propanoylamino]-3-phenylpropanamide?
The InChIKey is PEPHGBZENUBWMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N2O2/c1-3-24(28)27(18-21-13-9-10-19(2)16-21)23(17-20-11-5-4-6-12-20)25(29)26-22-14-7-8-15-22/h4-6,9-13,16,22-23H,3,7-8,14-15,17-18H2,1-2H3,(H,26,29).
What are the key properties of N-cyclopentyl-2-[(3-methylphenyl)methyl-propanoylamino]-3-phenylpropanamide?
N-cyclopentyl-2-[(3-methylphenyl)methyl-propanoylamino]-3-phenylpropanamide has a molecular weight of 392.54 g/mol, XLogP of 4.40, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-[(3-methylphenyl)methyl-propanoylamino]-3-phenylpropanamide is sourced from PubChem (CID 133264327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).