2-[benzyl-[2-(4-methylphenoxy)acetyl]amino]-N-cyclohexylpropanamide

C25H32N2O3 — CID 132985498

IUPAC2-[benzyl-[2-(4-methylphenoxy)acetyl]amino]-N-cyclohexylpropanamide
SMILESCc1ccc(OCC(=O)N(Cc2ccccc2)C(C)C(=O)NC2CCCCC2)cc1
InChIInChI=1S/C25H32N2O3/c1-19-13-15-23(16-14-19)30-18-24(28)27(17-21-9-5-3-6-10-21)20(2)25(29)26-22-11-7-4-8-12-22/h3,5-6,9-10,13-16,20,22H,4,7-8,11-12,17-18H2,1-2H3,(H,26,29)
InChIKeyAXNXQGIXSXCXOD-UHFFFAOYSA-N
MW408.54 g/mol
LogP4.24
Rot. Bonds8

About 2-[benzyl-[2-(4-methylphenoxy)acetyl]amino]-N-cyclohexylpropanamide

2-[benzyl-[2-(4-methylphenoxy)acetyl]amino]-N-cyclohexylpropanamide (PubChem CID 132985498) has the molecular formula C25H32N2O3 and a molecular weight of 408.54 g/mol. Its IUPAC name is 2-[benzyl-[2-(4-methylphenoxy)acetyl]amino]-N-cyclohexylpropanamide.

Molecular Properties

Compound Name2-[benzyl-[2-(4-methylphenoxy)acetyl]amino]-N-cyclohexylpropanamide
PubChem CID132985498
Molecular FormulaC25H32N2O3
Molecular Weight408.54 g/mol
Exact Mass408.24
IUPAC Name2-[benzyl-[2-(4-methylphenoxy)acetyl]amino]-N-cyclohexylpropanamide
SMILESCc1ccc(OCC(=O)N(Cc2ccccc2)C(C)C(=O)NC2CCCCC2)cc1
InChIInChI=1S/C25H32N2O3/c1-19-13-15-23(16-14-19)30-18-24(28)27(17-21-9-5-3-6-10-21)20(2)25(29)26-22-11-7-4-8-12-22/h3,5-6,9-10,13-16,20,22H,4,7-8,11-12,17-18H2,1-2H3,(H,26,29)
InChIKeyAXNXQGIXSXCXOD-UHFFFAOYSA-N
XLogP4.24
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 ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[benzyl-[2-(3,4-dimethylphenoxy)acetyl]amino]-N-cyclohexylpropanamide
CID 132947942
N-cyclopentyl-2-[[2-(4-ethylphenoxy)acetyl]-[(4-methylphenyl)methyl]amino]propanamide
CID 132948025
(2R)-N-cyclohexyl-2-[(4-methoxyphenyl)methyl-(2-phenoxyacetyl)amino]propanamide
CID 100511836
(2S)-2-[(3-bromophenyl)methyl-[2-(4-methylphenoxy)acetyl]amino]-N-cyclohexylpropanamide
CID 100565119
N-cyclopentyl-2-[[2-(3,5-dimethylphenoxy)acetyl]-[(4-methylphenyl)methyl]amino]propanamide
CID 132948015
2-[(3-bromophenyl)methyl-[2-(4-methylphenoxy)acetyl]amino]-N-cyclopentylpropanamide
CID 133198917
N-cyclohexyl-2-[[2-(4-methoxyphenoxy)acetyl]-[(4-methylphenyl)methyl]amino]-3-phenylpropanamide
CID 133176572
2-[[2-(4-chlorophenoxy)acetyl]-[(4-methylphenyl)methyl]amino]-N-cyclohexyl-3-phenylpropanamide
CID 133176570
2-[(4-bromophenyl)methyl-[2-(4-methylphenoxy)acetyl]amino]-N-cyclohexyl-3-phenylpropanamide
CID 133253444
(2S)-2-[[2-(4-tert-butylphenoxy)acetyl]-[(4-methylphenyl)methyl]amino]-N-cyclohexyl-3-phenylpropanamide
CID 100589159
(2R)-N-cyclohexyl-2-[[2-(4-methylphenoxy)acetyl]-[(3-methylphenyl)methyl]amino]-3-phenylpropanamide
CID 100585638
2-[[2-(4-bromophenoxy)acetyl]-[(3-methylphenyl)methyl]amino]-N-cyclopentylpropanamide
CID 132615924

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl-[2-(4-methylphenoxy)acetyl]amino]-N-cyclohexylpropanamide?
The IUPAC name of 2-[benzyl-[2-(4-methylphenoxy)acetyl]amino]-N-cyclohexylpropanamide (CID 132985498) is 2-[benzyl-[2-(4-methylphenoxy)acetyl]amino]-N-cyclohexylpropanamide.
What is the SMILES notation for 2-[benzyl-[2-(4-methylphenoxy)acetyl]amino]-N-cyclohexylpropanamide?
The canonical SMILES for 2-[benzyl-[2-(4-methylphenoxy)acetyl]amino]-N-cyclohexylpropanamide is Cc1ccc(OCC(=O)N(Cc2ccccc2)C(C)C(=O)NC2CCCCC2)cc1.
What is the InChIKey of 2-[benzyl-[2-(4-methylphenoxy)acetyl]amino]-N-cyclohexylpropanamide?
The InChIKey is AXNXQGIXSXCXOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N2O3/c1-19-13-15-23(16-14-19)30-18-24(28)27(17-21-9-5-3-6-10-21)20(2)25(29)26-22-11-7-4-8-12-22/h3,5-6,9-10,13-16,20,22H,4,7-8,11-12,17-18H2,1-2H3,(H,26,29).
What are the key properties of 2-[benzyl-[2-(4-methylphenoxy)acetyl]amino]-N-cyclohexylpropanamide?
2-[benzyl-[2-(4-methylphenoxy)acetyl]amino]-N-cyclohexylpropanamide has a molecular weight of 408.54 g/mol, XLogP of 4.24, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl-[2-(4-methylphenoxy)acetyl]amino]-N-cyclohexylpropanamide is sourced from PubChem (CID 132985498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).