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

C18H26ClNO2 — CID 18283208

IUPAC4-tert-butyl-N-(3-chloro-4-methoxyphenyl)cyclohexane-1-carboxamide
SMILESCOc1ccc(NC(=O)C2CCC(C(C)(C)C)CC2)cc1Cl
InChIInChI=1S/C18H26ClNO2/c1-18(2,3)13-7-5-12(6-8-13)17(21)20-14-9-10-16(22-4)15(19)11-14/h9-13H,5-8H2,1-4H3,(H,20,21)
InChIKeyIMLSUIMMXIWPON-UHFFFAOYSA-N
MW323.86 g/mol
LogP5.14
Rot. Bonds3

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

4-tert-butyl-N-(3-chloro-4-methoxyphenyl)cyclohexane-1-carboxamide (PubChem CID 18283208) has the molecular formula C18H26ClNO2 and a molecular weight of 323.86 g/mol. Its IUPAC name is 4-tert-butyl-N-(3-chloro-4-methoxyphenyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-tert-butyl-N-(3-chloro-4-methoxyphenyl)cyclohexane-1-carboxamide
PubChem CID18283208
Molecular FormulaC18H26ClNO2
Molecular Weight323.86 g/mol
Exact Mass323.17
IUPAC Name4-tert-butyl-N-(3-chloro-4-methoxyphenyl)cyclohexane-1-carboxamide
SMILESCOc1ccc(NC(=O)C2CCC(C(C)(C)C)CC2)cc1Cl
InChIInChI=1S/C18H26ClNO2/c1-18(2,3)13-7-5-12(6-8-13)17(21)20-14-9-10-16(22-4)15(19)11-14/h9-13H,5-8H2,1-4H3,(H,20,21)
InChIKeyIMLSUIMMXIWPON-UHFFFAOYSA-N
XLogP5.14
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.86
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-N-(3-chloro-4-methoxyphenyl)cyclohexane-1-carboxamide
CID 54928597
N-(3-chloro-4-methoxyphenyl)thiane-4-carboxamide
CID 110859512
N-(3-chloro-4-methoxyphenyl)oxane-4-carboxamide
CID 31963649
3-amino-N-(3-chloro-4-methoxyphenyl)cyclopentane-1-carboxamide
CID 66030670
N-(3-chloro-4-methoxyphenyl)-3,3-difluorocyclobutane-1-carboxamide
CID 155823143
4-N-(3-chloro-4-methoxyphenyl)-1-N-prop-2-enylcyclohexane-1,4-dicarboxamide
CID 109144964
N-(3-chloro-4-methoxyphenyl)thiolane-3-carboxamide
CID 110859499
N-(3-chloro-4-methoxyphenyl)-1-methylpyrrolidine-3-carboxamide
CID 110859513
N-(3-chloro-4-methoxyphenyl)oxane-3-carboxamide
CID 110859516
N-(3-chloro-4-methoxyphenyl)-1-(2,6-dimethoxybenzoyl)piperidine-4-carboxamide
CID 126029508
N-(3-chloro-4-methoxyphenyl)-1-(4-methylbenzoyl)piperidine-4-carboxamide
CID 113007389
1-(benzenesulfonyl)-N-(3-chloro-4-methoxyphenyl)piperidine-4-carboxamide
CID 1072838

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-(3-chloro-4-methoxyphenyl)cyclohexane-1-carboxamide?
The IUPAC name of 4-tert-butyl-N-(3-chloro-4-methoxyphenyl)cyclohexane-1-carboxamide (CID 18283208) is 4-tert-butyl-N-(3-chloro-4-methoxyphenyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 4-tert-butyl-N-(3-chloro-4-methoxyphenyl)cyclohexane-1-carboxamide?
The canonical SMILES for 4-tert-butyl-N-(3-chloro-4-methoxyphenyl)cyclohexane-1-carboxamide is COc1ccc(NC(=O)C2CCC(C(C)(C)C)CC2)cc1Cl.
What is the InChIKey of 4-tert-butyl-N-(3-chloro-4-methoxyphenyl)cyclohexane-1-carboxamide?
The InChIKey is IMLSUIMMXIWPON-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26ClNO2/c1-18(2,3)13-7-5-12(6-8-13)17(21)20-14-9-10-16(22-4)15(19)11-14/h9-13H,5-8H2,1-4H3,(H,20,21).
What are the key properties of 4-tert-butyl-N-(3-chloro-4-methoxyphenyl)cyclohexane-1-carboxamide?
4-tert-butyl-N-(3-chloro-4-methoxyphenyl)cyclohexane-1-carboxamide has a molecular weight of 323.86 g/mol, XLogP of 5.14, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-(3-chloro-4-methoxyphenyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 18283208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).