4-butyl-N-[[1-(chloromethyl)cyclopentyl]methyl]cyclohexane-1-carboxamide

C18H32ClNO — CID 115364050

IUPAC4-butyl-N-[[1-(chloromethyl)cyclopentyl]methyl]cyclohexane-1-carboxamide
SMILESCCCCC1CCC(C(=O)NCC2(CCl)CCCC2)CC1
InChIInChI=1S/C18H32ClNO/c1-2-3-6-15-7-9-16(10-8-15)17(21)20-14-18(13-19)11-4-5-12-18/h15-16H,2-14H2,1H3,(H,20,21)
InChIKeyXNROBQOIKYKNBF-UHFFFAOYSA-N
MW313.91 g/mol
LogP4.90
Rot. Bonds7

About 4-butyl-N-[[1-(chloromethyl)cyclopentyl]methyl]cyclohexane-1-carboxamide

4-butyl-N-[[1-(chloromethyl)cyclopentyl]methyl]cyclohexane-1-carboxamide (PubChem CID 115364050) has the molecular formula C18H32ClNO and a molecular weight of 313.91 g/mol. Its IUPAC name is 4-butyl-N-[[1-(chloromethyl)cyclopentyl]methyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-butyl-N-[[1-(chloromethyl)cyclopentyl]methyl]cyclohexane-1-carboxamide
PubChem CID115364050
Molecular FormulaC18H32ClNO
Molecular Weight313.91 g/mol
Exact Mass313.22
IUPAC Name4-butyl-N-[[1-(chloromethyl)cyclopentyl]methyl]cyclohexane-1-carboxamide
SMILESCCCCC1CCC(C(=O)NCC2(CCl)CCCC2)CC1
InChIInChI=1S/C18H32ClNO/c1-2-3-6-15-7-9-16(10-8-15)17(21)20-14-18(13-19)11-4-5-12-18/h15-16H,2-14H2,1H3,(H,20,21)
InChIKeyXNROBQOIKYKNBF-UHFFFAOYSA-N
XLogP4.90
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.91
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[[1-(chloromethyl)cyclohexyl]methyl]cyclopropanecarboxamide
CID 103969527
4-butyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]cyclohexane-1-carboxamide;hydrochloride
CID 20995034
4-butyl-N-[(E)-4-chlorobut-2-enyl]cyclohexane-1-carboxamide
CID 81429367
N-[(3-aminocyclobutyl)methyl]-4-butylcyclohexane-1-carboxamide
CID 66004520
4-butyl-N-[(2-hydroxycyclohexyl)methyl]cyclohexane-1-carboxamide
CID 64912183
N-(5-bromo-2,2-dimethylpentyl)-4-butylcyclohexane-1-carboxamide
CID 106145391
N-(2-amino-2-methylpropyl)-4-butylcyclohexane-1-carboxamide
CID 81482758
4-butyl-N-[(3-hydroxycyclopentyl)methyl]cyclohexane-1-carboxamide
CID 103280018
N-(2-amino-2-methylpropyl)-4-butylcyclohexane-1-carboxamide;hydrochloride
CID 119629586
4-butylcyclohexane-1-carbohydrazide
CID 2063620
4-butyl-N-[1-(hydroxymethyl)cyclobutyl]cyclohexane-1-carboxamide
CID 115878057
N-[[1-(chloromethyl)cyclopentyl]methyl]-1,1-dioxothiolane-3-carboxamide
CID 115363944

Frequently Asked Questions

What is the IUPAC name of 4-butyl-N-[[1-(chloromethyl)cyclopentyl]methyl]cyclohexane-1-carboxamide?
The IUPAC name of 4-butyl-N-[[1-(chloromethyl)cyclopentyl]methyl]cyclohexane-1-carboxamide (CID 115364050) is 4-butyl-N-[[1-(chloromethyl)cyclopentyl]methyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-butyl-N-[[1-(chloromethyl)cyclopentyl]methyl]cyclohexane-1-carboxamide?
The canonical SMILES for 4-butyl-N-[[1-(chloromethyl)cyclopentyl]methyl]cyclohexane-1-carboxamide is CCCCC1CCC(C(=O)NCC2(CCl)CCCC2)CC1.
What is the InChIKey of 4-butyl-N-[[1-(chloromethyl)cyclopentyl]methyl]cyclohexane-1-carboxamide?
The InChIKey is XNROBQOIKYKNBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32ClNO/c1-2-3-6-15-7-9-16(10-8-15)17(21)20-14-18(13-19)11-4-5-12-18/h15-16H,2-14H2,1H3,(H,20,21).
What are the key properties of 4-butyl-N-[[1-(chloromethyl)cyclopentyl]methyl]cyclohexane-1-carboxamide?
4-butyl-N-[[1-(chloromethyl)cyclopentyl]methyl]cyclohexane-1-carboxamide has a molecular weight of 313.91 g/mol, XLogP of 4.90, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-N-[[1-(chloromethyl)cyclopentyl]methyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 115364050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).