N-(4-butoxy-3-cyanophenyl)-1-methylcyclopentane-1-carboxamide

C18H24N2O2 — CID 100751895

IUPACN-(4-butoxy-3-cyanophenyl)-1-methylcyclopentane-1-carboxamide
SMILESCCCCOc1ccc(NC(=O)C2(C)CCCC2)cc1C#N
InChIInChI=1S/C18H24N2O2/c1-3-4-11-22-16-8-7-15(12-14(16)13-19)20-17(21)18(2)9-5-6-10-18/h7-8,12H,3-6,9-11H2,1-2H3,(H,20,21)
InChIKeyVWUVIYRBCYPZOD-UHFFFAOYSA-N
MW300.40 g/mol
LogP4.26
Rot. Bonds6

About N-(4-butoxy-3-cyanophenyl)-1-methylcyclopentane-1-carboxamide

N-(4-butoxy-3-cyanophenyl)-1-methylcyclopentane-1-carboxamide (PubChem CID 100751895) has the molecular formula C18H24N2O2 and a molecular weight of 300.40 g/mol. Its IUPAC name is N-(4-butoxy-3-cyanophenyl)-1-methylcyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-(4-butoxy-3-cyanophenyl)-1-methylcyclopentane-1-carboxamide
PubChem CID100751895
Molecular FormulaC18H24N2O2
Molecular Weight300.40 g/mol
Exact Mass300.18
IUPAC NameN-(4-butoxy-3-cyanophenyl)-1-methylcyclopentane-1-carboxamide
SMILESCCCCOc1ccc(NC(=O)C2(C)CCCC2)cc1C#N
InChIInChI=1S/C18H24N2O2/c1-3-4-11-22-16-8-7-15(12-14(16)13-19)20-17(21)18(2)9-5-6-10-18/h7-8,12H,3-6,9-11H2,1-2H3,(H,20,21)
InChIKeyVWUVIYRBCYPZOD-UHFFFAOYSA-N
XLogP4.26
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-butoxy-3-cyanophenyl)-1-ethoxycyclohexane-1-carboxamide
CID 100761993
N-(4-butoxy-3-cyanophenyl)-1-(4-chlorophenyl)cyclopentane-1-carboxamide
CID 100722065
N-(4-butoxy-3-cyanophenyl)-1-(2-fluorophenyl)cyclopentane-1-carboxamide
CID 100720957
methyl 2-butoxy-5-[(1-methylcyclopentanecarbonyl)amino]benzoate
CID 100751768
N-(4-butoxy-3-cyanophenyl)-1-(2,4-dichlorophenyl)cyclopentane-1-carboxamide
CID 100743841
N-(3-cyano-4-propoxyphenyl)-1-phenylcyclohexane-1-carboxamide
CID 100744658
N-(4-butoxy-3-cyanophenyl)-4-(3-methylphenyl)oxane-4-carboxamide
CID 100748445
N-(4-butoxy-3-cyanophenyl)-2-methyl-2-propoxypropanamide
CID 100763865
N-(3-cyano-4-methoxyphenyl)-1-propoxycyclohexane-1-carboxamide
CID 100767233
1-methyl-N-(3-methyl-4-propoxyphenyl)cyclopropane-1-carboxamide
CID 117059920
[2-cyano-4-[(1-propoxycyclohexanecarbonyl)amino]phenyl] acetate
CID 100767323
[2-cyano-4-[(1-propoxycycloheptanecarbonyl)amino]phenyl] acetate
CID 100767545

Frequently Asked Questions

What is the IUPAC name of N-(4-butoxy-3-cyanophenyl)-1-methylcyclopentane-1-carboxamide?
The IUPAC name of N-(4-butoxy-3-cyanophenyl)-1-methylcyclopentane-1-carboxamide (CID 100751895) is N-(4-butoxy-3-cyanophenyl)-1-methylcyclopentane-1-carboxamide.
What is the SMILES notation for N-(4-butoxy-3-cyanophenyl)-1-methylcyclopentane-1-carboxamide?
The canonical SMILES for N-(4-butoxy-3-cyanophenyl)-1-methylcyclopentane-1-carboxamide is CCCCOc1ccc(NC(=O)C2(C)CCCC2)cc1C#N.
What is the InChIKey of N-(4-butoxy-3-cyanophenyl)-1-methylcyclopentane-1-carboxamide?
The InChIKey is VWUVIYRBCYPZOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2/c1-3-4-11-22-16-8-7-15(12-14(16)13-19)20-17(21)18(2)9-5-6-10-18/h7-8,12H,3-6,9-11H2,1-2H3,(H,20,21).
What are the key properties of N-(4-butoxy-3-cyanophenyl)-1-methylcyclopentane-1-carboxamide?
N-(4-butoxy-3-cyanophenyl)-1-methylcyclopentane-1-carboxamide has a molecular weight of 300.40 g/mol, XLogP of 4.26, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butoxy-3-cyanophenyl)-1-methylcyclopentane-1-carboxamide is sourced from PubChem (CID 100751895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).