4-butyl-N-(3-chloropropyl)-N-cyclobutylcyclohexane-1-carboxamide

C18H32ClNO — CID 102871981

IUPAC4-butyl-N-(3-chloropropyl)-N-cyclobutylcyclohexane-1-carboxamide
SMILESCCCCC1CCC(C(=O)N(CCCCl)C2CCC2)CC1
InChIInChI=1S/C18H32ClNO/c1-2-3-6-15-9-11-16(12-10-15)18(21)20(14-5-13-19)17-7-4-8-17/h15-17H,2-14H2,1H3
InChIKeyBYKXCNIIPBTHMC-UHFFFAOYSA-N
MW313.91 g/mol
LogP4.99
Rot. Bonds8

About 4-butyl-N-(3-chloropropyl)-N-cyclobutylcyclohexane-1-carboxamide

4-butyl-N-(3-chloropropyl)-N-cyclobutylcyclohexane-1-carboxamide (PubChem CID 102871981) has the molecular formula C18H32ClNO and a molecular weight of 313.91 g/mol. Its IUPAC name is 4-butyl-N-(3-chloropropyl)-N-cyclobutylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-butyl-N-(3-chloropropyl)-N-cyclobutylcyclohexane-1-carboxamide
PubChem CID102871981
Molecular FormulaC18H32ClNO
Molecular Weight313.91 g/mol
Exact Mass313.22
IUPAC Name4-butyl-N-(3-chloropropyl)-N-cyclobutylcyclohexane-1-carboxamide
SMILESCCCCC1CCC(C(=O)N(CCCCl)C2CCC2)CC1
InChIInChI=1S/C18H32ClNO/c1-2-3-6-15-9-11-16(12-10-15)18(21)20(14-5-13-19)17-7-4-8-17/h15-17H,2-14H2,1H3
InChIKeyBYKXCNIIPBTHMC-UHFFFAOYSA-N
XLogP4.99
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.91
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(3-chloropropyl)-N-cyclobutylbutanamide
CID 102872148
N-(2-chloroethyl)-N-cyclopentylcyclohexanecarboxamide
CID 55187406
N-(2-chloroethyl)-N-cyclobutylcyclohexanecarboxamide
CID 102872561
4-butyl-N-methoxy-N-methylcyclohexane-1-carboxamide
CID 60644673
N-(2-aminoethyl)-4-butyl-N-ethylcyclohexane-1-carboxamide
CID 61349316
N-butyl-N-(2-chloroethyl)cyclobutanecarboxamide
CID 63391533
N-(4-aminocyclohexyl)-N-propylcyclobutanecarboxamide
CID 79111722
1-N,4-N-dicyclopentyl-1-N,4-N-diethylcyclohexane-1,4-dicarboxamide
CID 55587581
N-(3-chloropropyl)-N-cyclobutyl-2-ethoxyacetamide
CID 102871906
methyl 3-[(4-butylcyclohexanecarbonyl)-methylamino]propanoate
CID 61030682
N-(2-aminocyclohexyl)-4-butyl-N-methylcyclohexane-1-carboxamide
CID 102639138
N-(1-bromo-2-methylpropan-2-yl)-4-butyl-N-methylcyclohexane-1-carboxamide
CID 113476620

Frequently Asked Questions

What is the IUPAC name of 4-butyl-N-(3-chloropropyl)-N-cyclobutylcyclohexane-1-carboxamide?
The IUPAC name of 4-butyl-N-(3-chloropropyl)-N-cyclobutylcyclohexane-1-carboxamide (CID 102871981) is 4-butyl-N-(3-chloropropyl)-N-cyclobutylcyclohexane-1-carboxamide.
What is the SMILES notation for 4-butyl-N-(3-chloropropyl)-N-cyclobutylcyclohexane-1-carboxamide?
The canonical SMILES for 4-butyl-N-(3-chloropropyl)-N-cyclobutylcyclohexane-1-carboxamide is CCCCC1CCC(C(=O)N(CCCCl)C2CCC2)CC1.
What is the InChIKey of 4-butyl-N-(3-chloropropyl)-N-cyclobutylcyclohexane-1-carboxamide?
The InChIKey is BYKXCNIIPBTHMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32ClNO/c1-2-3-6-15-9-11-16(12-10-15)18(21)20(14-5-13-19)17-7-4-8-17/h15-17H,2-14H2,1H3.
What are the key properties of 4-butyl-N-(3-chloropropyl)-N-cyclobutylcyclohexane-1-carboxamide?
4-butyl-N-(3-chloropropyl)-N-cyclobutylcyclohexane-1-carboxamide has a molecular weight of 313.91 g/mol, XLogP of 4.99, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-N-(3-chloropropyl)-N-cyclobutylcyclohexane-1-carboxamide is sourced from PubChem (CID 102871981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).