N-(4-methoxy-3,5-dimethylphenyl)-1-(4-methylphenyl)cyclopentane-1-carboxamide

C22H27NO2 — CID 100662222

IUPACN-(4-methoxy-3,5-dimethylphenyl)-1-(4-methylphenyl)cyclopentane-1-carboxamide
SMILESCOc1c(C)cc(NC(=O)C2(c3ccc(C)cc3)CCCC2)cc1C
InChIInChI=1S/C22H27NO2/c1-15-7-9-18(10-8-15)22(11-5-6-12-22)21(24)23-19-13-16(2)20(25-4)17(3)14-19/h7-10,13-14H,5-6,11-12H2,1-4H3,(H,23,24)
InChIKeyCTMGMTSKMOSMPL-UHFFFAOYSA-N
MW337.46 g/mol
LogP5.07
Rot. Bonds4

About N-(4-methoxy-3,5-dimethylphenyl)-1-(4-methylphenyl)cyclopentane-1-carboxamide

N-(4-methoxy-3,5-dimethylphenyl)-1-(4-methylphenyl)cyclopentane-1-carboxamide (PubChem CID 100662222) has the molecular formula C22H27NO2 and a molecular weight of 337.46 g/mol. Its IUPAC name is N-(4-methoxy-3,5-dimethylphenyl)-1-(4-methylphenyl)cyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-(4-methoxy-3,5-dimethylphenyl)-1-(4-methylphenyl)cyclopentane-1-carboxamide
PubChem CID100662222
Molecular FormulaC22H27NO2
Molecular Weight337.46 g/mol
Exact Mass337.20
IUPAC NameN-(4-methoxy-3,5-dimethylphenyl)-1-(4-methylphenyl)cyclopentane-1-carboxamide
SMILESCOc1c(C)cc(NC(=O)C2(c3ccc(C)cc3)CCCC2)cc1C
InChIInChI=1S/C22H27NO2/c1-15-7-9-18(10-8-15)22(11-5-6-12-22)21(24)23-19-13-16(2)20(25-4)17(3)14-19/h7-10,13-14H,5-6,11-12H2,1-4H3,(H,23,24)
InChIKeyCTMGMTSKMOSMPL-UHFFFAOYSA-N
XLogP5.07
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.46
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-methoxy-3,5-dimethylphenyl)-1-(4-methoxyphenyl)cyclopentane-1-carboxamide
CID 100668870
methyl 2-methoxy-5-[[1-(4-methylphenyl)cyclohexanecarbonyl]amino]benzoate
CID 100745550
N-(4-cyclopentyloxy-3-methylphenyl)-1-(4-methylphenyl)cyclohexane-1-carboxamide
CID 100672600
N-(3,5-dimethyl-4-propan-2-yloxyphenyl)-1-phenylcyclopentane-1-carboxamide
CID 100658755
1-(4-methylphenyl)-N-(3-methyl-4-propan-2-yloxyphenyl)cyclohexane-1-carboxamide
CID 100672535
N-(3,5-dimethyl-4-phenylmethoxyphenyl)-1-(4-methoxyphenyl)cyclohexane-1-carboxamide
CID 100678872
N-(3,5-dimethyl-4-phenylmethoxyphenyl)-1-phenylcyclohexane-1-carboxamide
CID 100669967
N-(4-butoxy-3-methylphenyl)-1-(4-methylphenyl)cyclohexane-1-carboxamide
CID 100672545
N-(4-butan-2-yloxy-3,5-dimethylphenyl)-1-(4-chlorophenyl)cyclopentane-1-carboxamide
CID 133188311
N-[3-methyl-4-(2-methylpropoxy)phenyl]-1-(4-methylphenyl)cyclohexane-1-carboxamide
CID 100672586
ethyl 2-methoxy-5-[[1-(4-methylphenyl)cyclohexanecarbonyl]amino]benzoate
CID 100745600
1-(4-methylphenyl)-N-(4-prop-2-enoxyphenyl)cyclopentane-1-carboxamide
CID 100781422

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxy-3,5-dimethylphenyl)-1-(4-methylphenyl)cyclopentane-1-carboxamide?
The IUPAC name of N-(4-methoxy-3,5-dimethylphenyl)-1-(4-methylphenyl)cyclopentane-1-carboxamide (CID 100662222) is N-(4-methoxy-3,5-dimethylphenyl)-1-(4-methylphenyl)cyclopentane-1-carboxamide.
What is the SMILES notation for N-(4-methoxy-3,5-dimethylphenyl)-1-(4-methylphenyl)cyclopentane-1-carboxamide?
The canonical SMILES for N-(4-methoxy-3,5-dimethylphenyl)-1-(4-methylphenyl)cyclopentane-1-carboxamide is COc1c(C)cc(NC(=O)C2(c3ccc(C)cc3)CCCC2)cc1C.
What is the InChIKey of N-(4-methoxy-3,5-dimethylphenyl)-1-(4-methylphenyl)cyclopentane-1-carboxamide?
The InChIKey is CTMGMTSKMOSMPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO2/c1-15-7-9-18(10-8-15)22(11-5-6-12-22)21(24)23-19-13-16(2)20(25-4)17(3)14-19/h7-10,13-14H,5-6,11-12H2,1-4H3,(H,23,24).
What are the key properties of N-(4-methoxy-3,5-dimethylphenyl)-1-(4-methylphenyl)cyclopentane-1-carboxamide?
N-(4-methoxy-3,5-dimethylphenyl)-1-(4-methylphenyl)cyclopentane-1-carboxamide has a molecular weight of 337.46 g/mol, XLogP of 5.07, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxy-3,5-dimethylphenyl)-1-(4-methylphenyl)cyclopentane-1-carboxamide is sourced from PubChem (CID 100662222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).