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

C25H33NO2 — CID 100661062

IUPACN-(4-butoxy-3,5-dimethylphenyl)-1-(3-methylphenyl)cyclopentane-1-carboxamide
SMILESCCCCOc1c(C)cc(NC(=O)C2(c3cccc(C)c3)CCCC2)cc1C
InChIInChI=1S/C25H33NO2/c1-5-6-14-28-23-19(3)16-22(17-20(23)4)26-24(27)25(12-7-8-13-25)21-11-9-10-18(2)15-21/h9-11,15-17H,5-8,12-14H2,1-4H3,(H,26,27)
InChIKeyHRGACPYDGRYQQT-UHFFFAOYSA-N
MW379.54 g/mol
LogP6.24
Rot. Bonds7

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

N-(4-butoxy-3,5-dimethylphenyl)-1-(3-methylphenyl)cyclopentane-1-carboxamide (PubChem CID 100661062) has the molecular formula C25H33NO2 and a molecular weight of 379.54 g/mol. Its IUPAC name is N-(4-butoxy-3,5-dimethylphenyl)-1-(3-methylphenyl)cyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-(4-butoxy-3,5-dimethylphenyl)-1-(3-methylphenyl)cyclopentane-1-carboxamide
PubChem CID100661062
Molecular FormulaC25H33NO2
Molecular Weight379.54 g/mol
Exact Mass379.25
IUPAC NameN-(4-butoxy-3,5-dimethylphenyl)-1-(3-methylphenyl)cyclopentane-1-carboxamide
SMILESCCCCOc1c(C)cc(NC(=O)C2(c3cccc(C)c3)CCCC2)cc1C
InChIInChI=1S/C25H33NO2/c1-5-6-14-28-23-19(3)16-22(17-20(23)4)26-24(27)25(12-7-8-13-25)21-11-9-10-18(2)15-21/h9-11,15-17H,5-8,12-14H2,1-4H3,(H,26,27)
InChIKeyHRGACPYDGRYQQT-UHFFFAOYSA-N
XLogP6.24
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.54
LogP ≤ 56.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(4-butoxy-3,5-dimethylphenyl)-1-phenylcyclohexane-1-carboxamide
CID 100669904
N-(6-butoxy-5-methyl-3-pyridinyl)-1-(3-methylphenyl)cyclopentane-1-carboxamide
CID 100769468
N-[3,5-dimethyl-4-(2-methylpropoxy)phenyl]-1-(3-methylphenyl)cyclopentane-1-carboxamide
CID 100661111
N-(6-butoxy-3-pyridinyl)-1-(3-methylphenyl)cyclohexane-1-carboxamide
CID 100770743
N-(3,5-dimethyl-4-propan-2-yloxyphenyl)-1-(3-methylphenyl)cyclohexane-1-carboxamide
CID 100671854
N-(4-ethoxy-3-methylphenyl)-1-(3-methylphenyl)cyclopentane-1-carboxamide
CID 100660821
N-(6-butoxy-5-methyl-3-pyridinyl)-1-phenylcyclopentane-1-carboxamide
CID 100769199
N-(4-butoxy-2-cyanophenyl)-1-(3-methylphenyl)cyclohexane-1-carboxamide
CID 100745418
N-(4-butoxy-3,5-dimethylphenyl)-4-(4-fluorophenyl)oxane-4-carboxamide
CID 100683972
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
1-(3-methylphenyl)-N-(4-propoxynaphthalen-1-yl)cyclopentane-1-carboxamide
CID 100720091

Frequently Asked Questions

What is the IUPAC name of N-(4-butoxy-3,5-dimethylphenyl)-1-(3-methylphenyl)cyclopentane-1-carboxamide?
The IUPAC name of N-(4-butoxy-3,5-dimethylphenyl)-1-(3-methylphenyl)cyclopentane-1-carboxamide (CID 100661062) is N-(4-butoxy-3,5-dimethylphenyl)-1-(3-methylphenyl)cyclopentane-1-carboxamide.
What is the SMILES notation for N-(4-butoxy-3,5-dimethylphenyl)-1-(3-methylphenyl)cyclopentane-1-carboxamide?
The canonical SMILES for N-(4-butoxy-3,5-dimethylphenyl)-1-(3-methylphenyl)cyclopentane-1-carboxamide is CCCCOc1c(C)cc(NC(=O)C2(c3cccc(C)c3)CCCC2)cc1C.
What is the InChIKey of N-(4-butoxy-3,5-dimethylphenyl)-1-(3-methylphenyl)cyclopentane-1-carboxamide?
The InChIKey is HRGACPYDGRYQQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33NO2/c1-5-6-14-28-23-19(3)16-22(17-20(23)4)26-24(27)25(12-7-8-13-25)21-11-9-10-18(2)15-21/h9-11,15-17H,5-8,12-14H2,1-4H3,(H,26,27).
What are the key properties of N-(4-butoxy-3,5-dimethylphenyl)-1-(3-methylphenyl)cyclopentane-1-carboxamide?
N-(4-butoxy-3,5-dimethylphenyl)-1-(3-methylphenyl)cyclopentane-1-carboxamide has a molecular weight of 379.54 g/mol, XLogP of 6.24, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butoxy-3,5-dimethylphenyl)-1-(3-methylphenyl)cyclopentane-1-carboxamide is sourced from PubChem (CID 100661062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).