[4-[methyl-(4-methylbenzoyl)amino]phenyl] 3-cyclopentylpropanoate

C23H27NO3 — CID 60594598

IUPAC[4-[methyl-(4-methylbenzoyl)amino]phenyl] 3-cyclopentylpropanoate
SMILESCc1ccc(C(=O)N(C)c2ccc(OC(=O)CCC3CCCC3)cc2)cc1
InChIInChI=1S/C23H27NO3/c1-17-7-10-19(11-8-17)23(26)24(2)20-12-14-21(15-13-20)27-22(25)16-9-18-5-3-4-6-18/h7-8,10-15,18H,3-6,9,16H2,1-2H3
InChIKeyLSCTYCZFVSWIRD-UHFFFAOYSA-N
MW365.47 g/mol
LogP5.15
Rot. Bonds6

About [4-[methyl-(4-methylbenzoyl)amino]phenyl] 3-cyclopentylpropanoate

[4-[methyl-(4-methylbenzoyl)amino]phenyl] 3-cyclopentylpropanoate (PubChem CID 60594598) has the molecular formula C23H27NO3 and a molecular weight of 365.47 g/mol. Its IUPAC name is [4-[methyl-(4-methylbenzoyl)amino]phenyl] 3-cyclopentylpropanoate.

Molecular Properties

Compound Name[4-[methyl-(4-methylbenzoyl)amino]phenyl] 3-cyclopentylpropanoate
PubChem CID60594598
Molecular FormulaC23H27NO3
Molecular Weight365.47 g/mol
Exact Mass365.20
IUPAC Name[4-[methyl-(4-methylbenzoyl)amino]phenyl] 3-cyclopentylpropanoate
SMILESCc1ccc(C(=O)N(C)c2ccc(OC(=O)CCC3CCCC3)cc2)cc1
InChIInChI=1S/C23H27NO3/c1-17-7-10-19(11-8-17)23(26)24(2)20-12-14-21(15-13-20)27-22(25)16-9-18-5-3-4-6-18/h7-8,10-15,18H,3-6,9,16H2,1-2H3
InChIKeyLSCTYCZFVSWIRD-UHFFFAOYSA-N
XLogP5.15
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.47
LogP ≤ 55.15
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] cyclopentanecarboxylate
CID 33186300
[4-[methyl-(4-methylbenzoyl)amino]phenyl] cyclohex-3-ene-1-carboxylate
CID 60594523
[4-[methyl-(4-methylbenzoyl)amino]phenyl] 2-(cyclopropylmethoxy)propanoate
CID 86847032
[4-[methyl-(4-methylbenzoyl)amino]phenyl] 2-(4-chlorophenyl)acetate
CID 33186337
[4-[methyl-(4-methylbenzoyl)amino]phenyl] 3-(thiophene-2-carbonylamino)propanoate
CID 33188002
[4-[methyl-(4-methylbenzoyl)amino]phenyl] 2-(4-methylphenoxy)propanoate
CID 55383634
[4-[methyl-(4-methylbenzoyl)amino]phenyl] pyridine-4-carboxylate
CID 60594547
[4-[methyl-(4-methylbenzoyl)amino]phenyl] 1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxylate
CID 55383795
[4-(3-cyclopentylpropanoyloxy)phenyl]methyl 2-methylpropanoate
CID 171426105
bis(4-methylphenyl) butanedioate
CID 14740597
[4-[methyl-(4-methylbenzoyl)amino]phenyl] 3,4-difluorobenzoate
CID 33186533
[4-[methyl-(4-methylbenzoyl)amino]phenyl] 4-nitrobenzoate
CID 33186021

Frequently Asked Questions

What is the IUPAC name of [4-[methyl-(4-methylbenzoyl)amino]phenyl] 3-cyclopentylpropanoate?
The IUPAC name of [4-[methyl-(4-methylbenzoyl)amino]phenyl] 3-cyclopentylpropanoate (CID 60594598) is [4-[methyl-(4-methylbenzoyl)amino]phenyl] 3-cyclopentylpropanoate.
What is the SMILES notation for [4-[methyl-(4-methylbenzoyl)amino]phenyl] 3-cyclopentylpropanoate?
The canonical SMILES for [4-[methyl-(4-methylbenzoyl)amino]phenyl] 3-cyclopentylpropanoate is Cc1ccc(C(=O)N(C)c2ccc(OC(=O)CCC3CCCC3)cc2)cc1.
What is the InChIKey of [4-[methyl-(4-methylbenzoyl)amino]phenyl] 3-cyclopentylpropanoate?
The InChIKey is LSCTYCZFVSWIRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27NO3/c1-17-7-10-19(11-8-17)23(26)24(2)20-12-14-21(15-13-20)27-22(25)16-9-18-5-3-4-6-18/h7-8,10-15,18H,3-6,9,16H2,1-2H3.
What are the key properties of [4-[methyl-(4-methylbenzoyl)amino]phenyl] 3-cyclopentylpropanoate?
[4-[methyl-(4-methylbenzoyl)amino]phenyl] 3-cyclopentylpropanoate has a molecular weight of 365.47 g/mol, XLogP of 5.15, 6 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] 3-cyclopentylpropanoate is sourced from PubChem (CID 60594598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).