4-tert-butyl-N-(3-chloro-2-methylpropyl)cyclohexane-1-carboxamide

C15H28ClNO — CID 114302699

IUPAC4-tert-butyl-N-(3-chloro-2-methylpropyl)cyclohexane-1-carboxamide
SMILESCC(CCl)CNC(=O)C1CCC(C(C)(C)C)CC1
InChIInChI=1S/C15H28ClNO/c1-11(9-16)10-17-14(18)12-5-7-13(8-6-12)15(2,3)4/h11-13H,5-10H2,1-4H3,(H,17,18)
InChIKeyZMOYUMUFGXDPHC-UHFFFAOYSA-N
MW273.85 g/mol
LogP3.83
Rot. Bonds4

About 4-tert-butyl-N-(3-chloro-2-methylpropyl)cyclohexane-1-carboxamide

4-tert-butyl-N-(3-chloro-2-methylpropyl)cyclohexane-1-carboxamide (PubChem CID 114302699) has the molecular formula C15H28ClNO and a molecular weight of 273.85 g/mol. Its IUPAC name is 4-tert-butyl-N-(3-chloro-2-methylpropyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-tert-butyl-N-(3-chloro-2-methylpropyl)cyclohexane-1-carboxamide
PubChem CID114302699
Molecular FormulaC15H28ClNO
Molecular Weight273.85 g/mol
Exact Mass273.19
IUPAC Name4-tert-butyl-N-(3-chloro-2-methylpropyl)cyclohexane-1-carboxamide
SMILESCC(CCl)CNC(=O)C1CCC(C(C)(C)C)CC1
InChIInChI=1S/C15H28ClNO/c1-11(9-16)10-17-14(18)12-5-7-13(8-6-12)15(2,3)4/h11-13H,5-10H2,1-4H3,(H,17,18)
InChIKeyZMOYUMUFGXDPHC-UHFFFAOYSA-N
XLogP3.83
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.85
LogP ≤ 53.83
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

4-tert-butyl-N-[(2S)-2-hydroxypropyl]cyclohexane-1-carboxamide
CID 83030657
4-tert-butyl-N-(2-hydroxy-3-methylbutyl)cyclohexane-1-carboxamide
CID 115744551
3-[(4-tert-butylcyclohexanecarbonyl)amino]-2-methylpropanoic acid
CID 62674977
4-tert-butyl-N-(2-cyclopropyl-2-hydroxyethyl)cyclohexane-1-carboxamide
CID 63298695
methyl 3-[(4-tert-butylcyclohexanecarbonyl)amino]-2-hydroxypropanoate
CID 103958175
N-(2-bromopropyl)cyclopropanecarboxamide
CID 114308592
4-tert-butyl-N-(cyanomethyl)cyclohexane-1-carboxamide
CID 62400506
4-tert-butyl-N-[[2-(chloromethyl)cyclopentyl]methyl]cyclohexane-1-carboxamide
CID 114306766
N-(3,3-dimethyl-2-propan-2-ylbutyl)cyclopropanecarboxamide
CID 58124356
N-(3-bromo-2-methylpropyl)cyclooctanecarboxamide
CID 114313551
N-ethyl-4-(2,3,3-trimethylbutan-2-yl)cyclohexane-1-carboxamide
CID 139316795
N-(2-hydroxypropyl)cyclopropanecarboxamide
CID 43392750

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-(3-chloro-2-methylpropyl)cyclohexane-1-carboxamide?
The IUPAC name of 4-tert-butyl-N-(3-chloro-2-methylpropyl)cyclohexane-1-carboxamide (CID 114302699) is 4-tert-butyl-N-(3-chloro-2-methylpropyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 4-tert-butyl-N-(3-chloro-2-methylpropyl)cyclohexane-1-carboxamide?
The canonical SMILES for 4-tert-butyl-N-(3-chloro-2-methylpropyl)cyclohexane-1-carboxamide is CC(CCl)CNC(=O)C1CCC(C(C)(C)C)CC1.
What is the InChIKey of 4-tert-butyl-N-(3-chloro-2-methylpropyl)cyclohexane-1-carboxamide?
The InChIKey is ZMOYUMUFGXDPHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28ClNO/c1-11(9-16)10-17-14(18)12-5-7-13(8-6-12)15(2,3)4/h11-13H,5-10H2,1-4H3,(H,17,18).
What are the key properties of 4-tert-butyl-N-(3-chloro-2-methylpropyl)cyclohexane-1-carboxamide?
4-tert-butyl-N-(3-chloro-2-methylpropyl)cyclohexane-1-carboxamide has a molecular weight of 273.85 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-(3-chloro-2-methylpropyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 114302699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).