4-butyl-N-[(E)-4-chlorobut-2-enyl]cyclohexane-1-carboxamide

C15H26ClNO — CID 81429367

IUPAC4-butyl-N-[(E)-4-chlorobut-2-enyl]cyclohexane-1-carboxamide
SMILESCCCCC1CCC(C(=O)NC/C=C/CCl)CC1
InChIInChI=1S/C15H26ClNO/c1-2-3-6-13-7-9-14(10-8-13)15(18)17-12-5-4-11-16/h4-5,13-14H,2-3,6-12H2,1H3,(H,17,18)/b5-4+
InChIKeyMUUHBDNOKAOTJL-SNAWJCMRSA-N
MW271.83 g/mol
LogP3.89
Rot. Bonds7

About 4-butyl-N-[(E)-4-chlorobut-2-enyl]cyclohexane-1-carboxamide

4-butyl-N-[(E)-4-chlorobut-2-enyl]cyclohexane-1-carboxamide (PubChem CID 81429367) has the molecular formula C15H26ClNO and a molecular weight of 271.83 g/mol. Its IUPAC name is 4-butyl-N-[(E)-4-chlorobut-2-enyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-butyl-N-[(E)-4-chlorobut-2-enyl]cyclohexane-1-carboxamide
PubChem CID81429367
Molecular FormulaC15H26ClNO
Molecular Weight271.83 g/mol
Exact Mass271.17
IUPAC Name4-butyl-N-[(E)-4-chlorobut-2-enyl]cyclohexane-1-carboxamide
SMILESCCCCC1CCC(C(=O)NC/C=C/CCl)CC1
InChIInChI=1S/C15H26ClNO/c1-2-3-6-13-7-9-14(10-8-13)15(18)17-12-5-4-11-16/h4-5,13-14H,2-3,6-12H2,1H3,(H,17,18)/b5-4+
InChIKeyMUUHBDNOKAOTJL-SNAWJCMRSA-N
XLogP3.89
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.83
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(2-amino-2-methylpropyl)-4-butylcyclohexane-1-carboxamide
CID 81482758
4-butyl-N-[[1-(chloromethyl)cyclopentyl]methyl]cyclohexane-1-carboxamide
CID 115364050
N-(2-amino-2-methylpropyl)-4-butylcyclohexane-1-carboxamide;hydrochloride
CID 119629586
4-butylcyclohexane-1-carbohydrazide
CID 2063620
N-[(3-aminocyclobutyl)methyl]-4-butylcyclohexane-1-carboxamide
CID 66004520
N-(5-bromo-2,2-dimethylpentyl)-4-butylcyclohexane-1-carboxamide
CID 106145391
4-butyl-N-(5-hydroxy-2,2-dimethylpentyl)cyclohexane-1-carboxamide
CID 103899307
4-butyl-N-(4-chlorobutan-2-yl)cyclohexane-1-carboxamide
CID 83180503
4-butyl-N-[(3-hydroxycyclopentyl)methyl]cyclohexane-1-carboxamide
CID 103280018
4-butyl-N-(6-iodohexyl)cyclohexane-1-carboxamide
CID 107848338
N-(3-bromobutyl)-4-butylcyclohexane-1-carboxamide
CID 114312510
propan-2-yl 2-[(4-butylcyclohexanecarbonyl)amino]acetate
CID 56551069

Frequently Asked Questions

What is the IUPAC name of 4-butyl-N-[(E)-4-chlorobut-2-enyl]cyclohexane-1-carboxamide?
The IUPAC name of 4-butyl-N-[(E)-4-chlorobut-2-enyl]cyclohexane-1-carboxamide (CID 81429367) is 4-butyl-N-[(E)-4-chlorobut-2-enyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-butyl-N-[(E)-4-chlorobut-2-enyl]cyclohexane-1-carboxamide?
The canonical SMILES for 4-butyl-N-[(E)-4-chlorobut-2-enyl]cyclohexane-1-carboxamide is CCCCC1CCC(C(=O)NC/C=C/CCl)CC1.
What is the InChIKey of 4-butyl-N-[(E)-4-chlorobut-2-enyl]cyclohexane-1-carboxamide?
The InChIKey is MUUHBDNOKAOTJL-SNAWJCMRSA-N. The full InChI is InChI=1S/C15H26ClNO/c1-2-3-6-13-7-9-14(10-8-13)15(18)17-12-5-4-11-16/h4-5,13-14H,2-3,6-12H2,1H3,(H,17,18)/b5-4+.
What are the key properties of 4-butyl-N-[(E)-4-chlorobut-2-enyl]cyclohexane-1-carboxamide?
4-butyl-N-[(E)-4-chlorobut-2-enyl]cyclohexane-1-carboxamide has a molecular weight of 271.83 g/mol, XLogP of 3.89, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-N-[(E)-4-chlorobut-2-enyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 81429367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).