1-(4-methylphenyl)-N-(4-prop-2-enoxyphenyl)cyclopentane-1-carboxamide

C22H25NO2 — CID 100781422

IUPAC1-(4-methylphenyl)-N-(4-prop-2-enoxyphenyl)cyclopentane-1-carboxamide
SMILESC=CCOc1ccc(NC(=O)C2(c3ccc(C)cc3)CCCC2)cc1
InChIInChI=1S/C22H25NO2/c1-3-16-25-20-12-10-19(11-13-20)23-21(24)22(14-4-5-15-22)18-8-6-17(2)7-9-18/h3,6-13H,1,4-5,14-16H2,2H3,(H,23,24)
InChIKeyLNSRXBBKTYKPFT-UHFFFAOYSA-N
MW335.45 g/mol
LogP5.01
Rot. Bonds6

About 1-(4-methylphenyl)-N-(4-prop-2-enoxyphenyl)cyclopentane-1-carboxamide

1-(4-methylphenyl)-N-(4-prop-2-enoxyphenyl)cyclopentane-1-carboxamide (PubChem CID 100781422) has the molecular formula C22H25NO2 and a molecular weight of 335.45 g/mol. Its IUPAC name is 1-(4-methylphenyl)-N-(4-prop-2-enoxyphenyl)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-(4-methylphenyl)-N-(4-prop-2-enoxyphenyl)cyclopentane-1-carboxamide
PubChem CID100781422
Molecular FormulaC22H25NO2
Molecular Weight335.45 g/mol
Exact Mass335.19
IUPAC Name1-(4-methylphenyl)-N-(4-prop-2-enoxyphenyl)cyclopentane-1-carboxamide
SMILESC=CCOc1ccc(NC(=O)C2(c3ccc(C)cc3)CCCC2)cc1
InChIInChI=1S/C22H25NO2/c1-3-16-25-20-12-10-19(11-13-20)23-21(24)22(14-4-5-15-22)18-8-6-17(2)7-9-18/h3,6-13H,1,4-5,14-16H2,2H3,(H,23,24)
InChIKeyLNSRXBBKTYKPFT-UHFFFAOYSA-N
XLogP5.01
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.45
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(4-methylphenyl)-N-(4-prop-2-enoxyphenyl)cyclopropane-1-carboxamide
CID 100782348
4-(4-chlorophenyl)-N-(4-prop-2-enoxyphenyl)oxane-4-carboxamide
CID 100781339
N-(4-ethoxyphenyl)-1-(4-methoxyphenyl)cyclopentane-1-carboxamide
CID 94829289
N-(4-butoxyphenyl)-1-(4-methoxyphenyl)cyclopentane-1-carboxamide
CID 100668241
2-[4-[[1-(4-methoxyphenyl)cyclopentanecarbonyl]amino]phenoxy]acetic acid
CID 100668327
N-(4-butoxy-3-methylphenyl)-1-(4-methylphenyl)cyclohexane-1-carboxamide
CID 100672545
4-methyl-N-(4-prop-2-enoxyphenyl)benzamide
CID 4952484
1-(4-methylphenyl)-N-[4-[3-(3-methylpiperidin-1-yl)propoxy]phenyl]cyclopentane-1-carboxamide
CID 133179633
N-(4-methoxy-3,5-dimethylphenyl)-1-(4-methylphenyl)cyclopentane-1-carboxamide
CID 100662222
2-[4-[[1-(4-chlorophenyl)cyclopentanecarbonyl]amino]phenoxy]acetic acid
CID 100665395
N-[4-[2-(dimethylamino)ethoxy]phenyl]-4-(4-methylphenyl)oxane-4-carboxamide
CID 99082650
N-[3-methyl-4-(2-methylpropoxy)phenyl]-1-(4-methylphenyl)cyclohexane-1-carboxamide
CID 100672586

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-N-(4-prop-2-enoxyphenyl)cyclopentane-1-carboxamide?
The IUPAC name of 1-(4-methylphenyl)-N-(4-prop-2-enoxyphenyl)cyclopentane-1-carboxamide (CID 100781422) is 1-(4-methylphenyl)-N-(4-prop-2-enoxyphenyl)cyclopentane-1-carboxamide.
What is the SMILES notation for 1-(4-methylphenyl)-N-(4-prop-2-enoxyphenyl)cyclopentane-1-carboxamide?
The canonical SMILES for 1-(4-methylphenyl)-N-(4-prop-2-enoxyphenyl)cyclopentane-1-carboxamide is C=CCOc1ccc(NC(=O)C2(c3ccc(C)cc3)CCCC2)cc1.
What is the InChIKey of 1-(4-methylphenyl)-N-(4-prop-2-enoxyphenyl)cyclopentane-1-carboxamide?
The InChIKey is LNSRXBBKTYKPFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO2/c1-3-16-25-20-12-10-19(11-13-20)23-21(24)22(14-4-5-15-22)18-8-6-17(2)7-9-18/h3,6-13H,1,4-5,14-16H2,2H3,(H,23,24).
What are the key properties of 1-(4-methylphenyl)-N-(4-prop-2-enoxyphenyl)cyclopentane-1-carboxamide?
1-(4-methylphenyl)-N-(4-prop-2-enoxyphenyl)cyclopentane-1-carboxamide has a molecular weight of 335.45 g/mol, XLogP of 5.01, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-N-(4-prop-2-enoxyphenyl)cyclopentane-1-carboxamide is sourced from PubChem (CID 100781422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).