[4-[methyl-(4-methylbenzoyl)amino]phenyl] cyclopentanecarboxylate

C21H23NO3 — CID 33186300

IUPAC[4-[methyl-(4-methylbenzoyl)amino]phenyl] cyclopentanecarboxylate
SMILESCc1ccc(C(=O)N(C)c2ccc(OC(=O)C3CCCC3)cc2)cc1
InChIInChI=1S/C21H23NO3/c1-15-7-9-16(10-8-15)20(23)22(2)18-11-13-19(14-12-18)25-21(24)17-5-3-4-6-17/h7-14,17H,3-6H2,1-2H3
InChIKeyABRCMBQWVFXXLA-UHFFFAOYSA-N
MW337.42 g/mol
LogP4.37
Rot. Bonds4

About [4-[methyl-(4-methylbenzoyl)amino]phenyl] cyclopentanecarboxylate

[4-[methyl-(4-methylbenzoyl)amino]phenyl] cyclopentanecarboxylate (PubChem CID 33186300) has the molecular formula C21H23NO3 and a molecular weight of 337.42 g/mol. Its IUPAC name is [4-[methyl-(4-methylbenzoyl)amino]phenyl] cyclopentanecarboxylate.

Molecular Properties

Compound Name[4-[methyl-(4-methylbenzoyl)amino]phenyl] cyclopentanecarboxylate
PubChem CID33186300
Molecular FormulaC21H23NO3
Molecular Weight337.42 g/mol
Exact Mass337.17
IUPAC Name[4-[methyl-(4-methylbenzoyl)amino]phenyl] cyclopentanecarboxylate
SMILESCc1ccc(C(=O)N(C)c2ccc(OC(=O)C3CCCC3)cc2)cc1
InChIInChI=1S/C21H23NO3/c1-15-7-9-16(10-8-15)20(23)22(2)18-11-13-19(14-12-18)25-21(24)17-5-3-4-6-17/h7-14,17H,3-6H2,1-2H3
InChIKeyABRCMBQWVFXXLA-UHFFFAOYSA-N
XLogP4.37
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

[4-[methyl-(4-methylbenzoyl)amino]phenyl] cyclohex-3-ene-1-carboxylate
CID 60594523
[4-[methyl-(4-methylbenzoyl)amino]phenyl] 3-cyclopentylpropanoate
CID 60594598
[4-[methyl-(4-methylbenzoyl)amino]phenyl] 1-(thiophene-2-carbonyl)piperidine-4-carboxylate
CID 33188030
[4-[methyl-(4-methylbenzoyl)amino]phenyl] 1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxylate
CID 55383795
[4-[methyl-(4-methylbenzoyl)amino]phenyl] 2-(cyclopropylmethoxy)propanoate
CID 86847032
[4-[methyl-(4-methylbenzoyl)amino]phenyl] 1-(3-chlorophenyl)-5-oxopyrrolidine-3-carboxylate
CID 55583631
[4-[methyl-(4-methylbenzoyl)amino]phenyl] 2-(4-methylphenoxy)propanoate
CID 55383634
[4-[methyl-(4-methylbenzoyl)amino]phenyl] pyridine-4-carboxylate
CID 60594547
[4-[(E)-3-(4-methylphenyl)-3-oxoprop-1-enyl]phenyl] cyclohexanecarboxylate
CID 6266798
[4-[4-(cyclohexanecarbonyloxy)phenyl]phenyl] cyclohexanecarboxylate
CID 122549311
[4-[methyl-(4-methylbenzoyl)amino]phenyl] 2-oxo-3,4-dihydro-1H-quinoline-4-carboxylate
CID 55507548
[4-(4-methylphenyl)phenyl] 4-cyclohexylcyclohexane-1-carboxylate
CID 54254635

Frequently Asked Questions

What is the IUPAC name of [4-[methyl-(4-methylbenzoyl)amino]phenyl] cyclopentanecarboxylate?
The IUPAC name of [4-[methyl-(4-methylbenzoyl)amino]phenyl] cyclopentanecarboxylate (CID 33186300) is [4-[methyl-(4-methylbenzoyl)amino]phenyl] cyclopentanecarboxylate.
What is the SMILES notation for [4-[methyl-(4-methylbenzoyl)amino]phenyl] cyclopentanecarboxylate?
The canonical SMILES for [4-[methyl-(4-methylbenzoyl)amino]phenyl] cyclopentanecarboxylate is Cc1ccc(C(=O)N(C)c2ccc(OC(=O)C3CCCC3)cc2)cc1.
What is the InChIKey of [4-[methyl-(4-methylbenzoyl)amino]phenyl] cyclopentanecarboxylate?
The InChIKey is ABRCMBQWVFXXLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO3/c1-15-7-9-16(10-8-15)20(23)22(2)18-11-13-19(14-12-18)25-21(24)17-5-3-4-6-17/h7-14,17H,3-6H2,1-2H3.
What are the key properties of [4-[methyl-(4-methylbenzoyl)amino]phenyl] cyclopentanecarboxylate?
[4-[methyl-(4-methylbenzoyl)amino]phenyl] cyclopentanecarboxylate has a molecular weight of 337.42 g/mol, XLogP of 4.37, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[methyl-(4-methylbenzoyl)amino]phenyl] cyclopentanecarboxylate is sourced from PubChem (CID 33186300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).