N-(4-butoxy-2-cyanophenyl)-1-(4-methoxyphenyl)cyclopentane-1-carboxamide

C24H28N2O3 — CID 100744352

IUPACN-(4-butoxy-2-cyanophenyl)-1-(4-methoxyphenyl)cyclopentane-1-carboxamide
SMILESCCCCOc1ccc(NC(=O)C2(c3ccc(OC)cc3)CCCC2)c(C#N)c1
InChIInChI=1S/C24H28N2O3/c1-3-4-15-29-21-11-12-22(18(16-21)17-25)26-23(27)24(13-5-6-14-24)19-7-9-20(28-2)10-8-19/h7-12,16H,3-6,13-15H2,1-2H3,(H,26,27)
InChIKeyLNAWMMSYFVUHIW-UHFFFAOYSA-N
MW392.50 g/mol
LogP5.20
Rot. Bonds8

About N-(4-butoxy-2-cyanophenyl)-1-(4-methoxyphenyl)cyclopentane-1-carboxamide

N-(4-butoxy-2-cyanophenyl)-1-(4-methoxyphenyl)cyclopentane-1-carboxamide (PubChem CID 100744352) has the molecular formula C24H28N2O3 and a molecular weight of 392.50 g/mol. Its IUPAC name is N-(4-butoxy-2-cyanophenyl)-1-(4-methoxyphenyl)cyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-(4-butoxy-2-cyanophenyl)-1-(4-methoxyphenyl)cyclopentane-1-carboxamide
PubChem CID100744352
Molecular FormulaC24H28N2O3
Molecular Weight392.50 g/mol
Exact Mass392.21
IUPAC NameN-(4-butoxy-2-cyanophenyl)-1-(4-methoxyphenyl)cyclopentane-1-carboxamide
SMILESCCCCOc1ccc(NC(=O)C2(c3ccc(OC)cc3)CCCC2)c(C#N)c1
InChIInChI=1S/C24H28N2O3/c1-3-4-15-29-21-11-12-22(18(16-21)17-25)26-23(27)24(13-5-6-14-24)19-7-9-20(28-2)10-8-19/h7-12,16H,3-6,13-15H2,1-2H3,(H,26,27)
InChIKeyLNAWMMSYFVUHIW-UHFFFAOYSA-N
XLogP5.20
TPSA71.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.50
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-cyano-4-propoxyphenyl)-1-(4-methoxyphenyl)cyclohexane-1-carboxamide
CID 100747593
N-(4-butoxy-2-cyanophenyl)-4-(4-methoxyphenyl)oxane-4-carboxamide
CID 100750267
N-[4-[(2R)-butan-2-yl]oxy-2-cyanophenyl]-1-(4-methoxyphenyl)cyclopentane-1-carboxamide
CID 100744362
N-(4-butoxy-2-cyanophenyl)-1-(3-methylphenyl)cyclohexane-1-carboxamide
CID 100745418
N-(2-cyano-4-methoxyphenyl)-1-(4-fluorophenyl)cyclopentane-1-carboxamide
CID 100721529
1-(4-chlorophenyl)-N-(2-cyano-4-ethoxyphenyl)cyclohexane-1-carboxamide
CID 100746676
N-(4-butoxyphenyl)-1-(4-methoxyphenyl)cyclopentane-1-carboxamide
CID 100668241
4-(4-chlorophenyl)-N-(2-cyano-4-propoxyphenyl)oxane-4-carboxamide
CID 100749727
N-(2-cyano-4-methoxyphenyl)-1-propoxycyclohexane-1-carboxamide
CID 100767273
N-(2-cyano-4-methoxyphenyl)-1-propoxycycloheptane-1-carboxamide
CID 100767499
[3-cyano-4-[[1-(4-nitrophenyl)cyclopentanecarbonyl]amino]phenyl] acetate
CID 100719496
N-(2-cyano-4-ethoxyphenyl)-4-(4-nitrophenyl)oxane-4-carboxamide
CID 100748199

Frequently Asked Questions

What is the IUPAC name of N-(4-butoxy-2-cyanophenyl)-1-(4-methoxyphenyl)cyclopentane-1-carboxamide?
The IUPAC name of N-(4-butoxy-2-cyanophenyl)-1-(4-methoxyphenyl)cyclopentane-1-carboxamide (CID 100744352) is N-(4-butoxy-2-cyanophenyl)-1-(4-methoxyphenyl)cyclopentane-1-carboxamide.
What is the SMILES notation for N-(4-butoxy-2-cyanophenyl)-1-(4-methoxyphenyl)cyclopentane-1-carboxamide?
The canonical SMILES for N-(4-butoxy-2-cyanophenyl)-1-(4-methoxyphenyl)cyclopentane-1-carboxamide is CCCCOc1ccc(NC(=O)C2(c3ccc(OC)cc3)CCCC2)c(C#N)c1.
What is the InChIKey of N-(4-butoxy-2-cyanophenyl)-1-(4-methoxyphenyl)cyclopentane-1-carboxamide?
The InChIKey is LNAWMMSYFVUHIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O3/c1-3-4-15-29-21-11-12-22(18(16-21)17-25)26-23(27)24(13-5-6-14-24)19-7-9-20(28-2)10-8-19/h7-12,16H,3-6,13-15H2,1-2H3,(H,26,27).
What are the key properties of N-(4-butoxy-2-cyanophenyl)-1-(4-methoxyphenyl)cyclopentane-1-carboxamide?
N-(4-butoxy-2-cyanophenyl)-1-(4-methoxyphenyl)cyclopentane-1-carboxamide has a molecular weight of 392.50 g/mol, XLogP of 5.20, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butoxy-2-cyanophenyl)-1-(4-methoxyphenyl)cyclopentane-1-carboxamide is sourced from PubChem (CID 100744352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).