3-cyclopentyl-N-[2-[N-[(4-methylphenyl)carbamoyl]-4-phenoxyanilino]ethyl]propanamide

C30H35N3O3 — CID 42725939

IUPAC3-cyclopentyl-N-[2-[N-[(4-methylphenyl)carbamoyl]-4-phenoxyanilino]ethyl]propanamide
SMILESCc1ccc(NC(=O)N(CCNC(=O)CCC2CCCC2)c2ccc(Oc3ccccc3)cc2)cc1
InChIInChI=1S/C30H35N3O3/c1-23-11-14-25(15-12-23)32-30(35)33(22-21-31-29(34)20-13-24-7-5-6-8-24)26-16-18-28(19-17-26)36-27-9-3-2-4-10-27/h2-4,9-12,14-19,24H,5-8,13,20-22H2,1H3,(H,31,34)(H,32,35)
InChIKeyYLZQZVLPYJTANE-UHFFFAOYSA-N
MW485.63 g/mol
LogP6.91
Rot. Bonds10

About 3-cyclopentyl-N-[2-[N-[(4-methylphenyl)carbamoyl]-4-phenoxyanilino]ethyl]propanamide

3-cyclopentyl-N-[2-[N-[(4-methylphenyl)carbamoyl]-4-phenoxyanilino]ethyl]propanamide (PubChem CID 42725939) has the molecular formula C30H35N3O3 and a molecular weight of 485.63 g/mol. Its IUPAC name is 3-cyclopentyl-N-[2-[N-[(4-methylphenyl)carbamoyl]-4-phenoxyanilino]ethyl]propanamide.

Molecular Properties

Compound Name3-cyclopentyl-N-[2-[N-[(4-methylphenyl)carbamoyl]-4-phenoxyanilino]ethyl]propanamide
PubChem CID42725939
Molecular FormulaC30H35N3O3
Molecular Weight485.63 g/mol
Exact Mass485.27
IUPAC Name3-cyclopentyl-N-[2-[N-[(4-methylphenyl)carbamoyl]-4-phenoxyanilino]ethyl]propanamide
SMILESCc1ccc(NC(=O)N(CCNC(=O)CCC2CCCC2)c2ccc(Oc3ccccc3)cc2)cc1
InChIInChI=1S/C30H35N3O3/c1-23-11-14-25(15-12-23)32-30(35)33(22-21-31-29(34)20-13-24-7-5-6-8-24)26-16-18-28(19-17-26)36-27-9-3-2-4-10-27/h2-4,9-12,14-19,24H,5-8,13,20-22H2,1H3,(H,31,34)(H,32,35)
InChIKeyYLZQZVLPYJTANE-UHFFFAOYSA-N
XLogP6.91
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.63
LogP ≤ 56.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-methylphenyl)-1-[2-[(4-methylphenyl)carbamoylamino]ethyl]-1-(4-phenoxyphenyl)urea
CID 4210938
4-tert-butyl-N-[2-[N-[(4-methylphenyl)carbamoyl]-4-phenoxyanilino]ethyl]benzamide
CID 42726194
N-[2-[4-phenoxy-N-(phenylcarbamoyl)anilino]ethyl]cyclobutanecarboxamide
CID 42708287
3-cyclopentyl-N-[4-(3-methylphenoxy)phenyl]propanamide
CID 2446291
2,4-dichloro-N-[2-[N-[(4-methylphenyl)carbamoyl]-4-phenoxyanilino]ethyl]benzamide
CID 42726419
ethyl 4-[2-[N-[(4-nitrophenyl)carbamoyl]-4-phenoxyanilino]ethylamino]-4-oxobutanoate
CID 42708762
N-[3-[N-[(4-methoxyphenyl)carbamoyl]-4-phenoxyanilino]propyl]cyclohexanecarboxamide
CID 42707093
3-cyclohexyl-N-[(4-phenoxyphenyl)carbamothioyl]propanamide
CID 4934258
1-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-3-(4-methylphenyl)-1-(4-phenoxyphenyl)urea
CID 42657933
N-[3-[N-[(4-methylphenyl)carbamoyl]-4-phenoxyanilino]propyl]-2-phenylbutanamide
CID 42704458
N-[3-[N-[(3-methylphenyl)carbamoyl]-4-phenoxyanilino]propyl]heptanamide
CID 42705829
N-[2-[4-fluoro-N-[(4-methylphenyl)carbamoyl]anilino]ethyl]benzamide
CID 42705527

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-N-[2-[N-[(4-methylphenyl)carbamoyl]-4-phenoxyanilino]ethyl]propanamide?
The IUPAC name of 3-cyclopentyl-N-[2-[N-[(4-methylphenyl)carbamoyl]-4-phenoxyanilino]ethyl]propanamide (CID 42725939) is 3-cyclopentyl-N-[2-[N-[(4-methylphenyl)carbamoyl]-4-phenoxyanilino]ethyl]propanamide.
What is the SMILES notation for 3-cyclopentyl-N-[2-[N-[(4-methylphenyl)carbamoyl]-4-phenoxyanilino]ethyl]propanamide?
The canonical SMILES for 3-cyclopentyl-N-[2-[N-[(4-methylphenyl)carbamoyl]-4-phenoxyanilino]ethyl]propanamide is Cc1ccc(NC(=O)N(CCNC(=O)CCC2CCCC2)c2ccc(Oc3ccccc3)cc2)cc1.
What is the InChIKey of 3-cyclopentyl-N-[2-[N-[(4-methylphenyl)carbamoyl]-4-phenoxyanilino]ethyl]propanamide?
The InChIKey is YLZQZVLPYJTANE-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35N3O3/c1-23-11-14-25(15-12-23)32-30(35)33(22-21-31-29(34)20-13-24-7-5-6-8-24)26-16-18-28(19-17-26)36-27-9-3-2-4-10-27/h2-4,9-12,14-19,24H,5-8,13,20-22H2,1H3,(H,31,34)(H,32,35).
What are the key properties of 3-cyclopentyl-N-[2-[N-[(4-methylphenyl)carbamoyl]-4-phenoxyanilino]ethyl]propanamide?
3-cyclopentyl-N-[2-[N-[(4-methylphenyl)carbamoyl]-4-phenoxyanilino]ethyl]propanamide has a molecular weight of 485.63 g/mol, XLogP of 6.91, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-N-[2-[N-[(4-methylphenyl)carbamoyl]-4-phenoxyanilino]ethyl]propanamide is sourced from PubChem (CID 42725939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).