4-butyl-N-(4-methoxyphenyl)cyclohexane-1-carboxamide

C18H27NO2 — CID 19206890

IUPAC4-butyl-N-(4-methoxyphenyl)cyclohexane-1-carboxamide
SMILESCCCCC1CCC(C(=O)Nc2ccc(OC)cc2)CC1
InChIInChI=1S/C18H27NO2/c1-3-4-5-14-6-8-15(9-7-14)18(20)19-16-10-12-17(21-2)13-11-16/h10-15H,3-9H2,1-2H3,(H,19,20)
InChIKeyYTSMUZLZHDERPB-UHFFFAOYSA-N
MW289.42 g/mol
LogP4.63
Rot. Bonds6

About 4-butyl-N-(4-methoxyphenyl)cyclohexane-1-carboxamide

4-butyl-N-(4-methoxyphenyl)cyclohexane-1-carboxamide (PubChem CID 19206890) has the molecular formula C18H27NO2 and a molecular weight of 289.42 g/mol. Its IUPAC name is 4-butyl-N-(4-methoxyphenyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-butyl-N-(4-methoxyphenyl)cyclohexane-1-carboxamide
PubChem CID19206890
Molecular FormulaC18H27NO2
Molecular Weight289.42 g/mol
Exact Mass289.20
IUPAC Name4-butyl-N-(4-methoxyphenyl)cyclohexane-1-carboxamide
SMILESCCCCC1CCC(C(=O)Nc2ccc(OC)cc2)CC1
InChIInChI=1S/C18H27NO2/c1-3-4-5-14-6-8-15(9-7-14)18(20)19-16-10-12-17(21-2)13-11-16/h10-15H,3-9H2,1-2H3,(H,19,20)
InChIKeyYTSMUZLZHDERPB-UHFFFAOYSA-N
XLogP4.63
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-butyl-N-[4-(hydroxymethyl)phenyl]cyclohexane-1-carboxamide
CID 64792837
4-butyl-N-(2,5-dimethoxyphenyl)cyclohexane-1-carboxamide
CID 19206893
4-butyl-N-[4-(dimethylamino)phenyl]cyclohexane-1-carboxamide
CID 19206977
4-[(4-butylcyclohexanecarbonyl)amino]benzamide
CID 8884677
4-N-(4-methoxyphenyl)-1-N-propylcyclohexane-1,4-dicarboxamide
CID 109144385
4-amino-N-(4-methoxyphenyl)cyclohexane-1-carboxamide
CID 54928395
(4-butylcyclohexyl)-(4-methoxyphenyl)methanone
CID 43160491
4-butyl-N-[4-(methanesulfonamido)-3-methoxyphenyl]cyclohexane-1-carboxamide
CID 37257828
4-benzyl-N-(4-methoxyphenyl)cyclohexane-1-carboxamide
CID 121318821
4-butyl-N-[4-(2-chloropropanoyl)phenyl]cyclohexane-1-carboxamide
CID 82259069
N-[4-(2-aminobutyl)phenyl]-4-butylcyclohexane-1-carboxamide
CID 82259804
(4-methoxyphenyl) 4-(4-butylcyclohexyl)cyclohexane-1-carboxylate
CID 23334967

Frequently Asked Questions

What is the IUPAC name of 4-butyl-N-(4-methoxyphenyl)cyclohexane-1-carboxamide?
The IUPAC name of 4-butyl-N-(4-methoxyphenyl)cyclohexane-1-carboxamide (CID 19206890) is 4-butyl-N-(4-methoxyphenyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 4-butyl-N-(4-methoxyphenyl)cyclohexane-1-carboxamide?
The canonical SMILES for 4-butyl-N-(4-methoxyphenyl)cyclohexane-1-carboxamide is CCCCC1CCC(C(=O)Nc2ccc(OC)cc2)CC1.
What is the InChIKey of 4-butyl-N-(4-methoxyphenyl)cyclohexane-1-carboxamide?
The InChIKey is YTSMUZLZHDERPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO2/c1-3-4-5-14-6-8-15(9-7-14)18(20)19-16-10-12-17(21-2)13-11-16/h10-15H,3-9H2,1-2H3,(H,19,20).
What are the key properties of 4-butyl-N-(4-methoxyphenyl)cyclohexane-1-carboxamide?
4-butyl-N-(4-methoxyphenyl)cyclohexane-1-carboxamide has a molecular weight of 289.42 g/mol, XLogP of 4.63, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-N-(4-methoxyphenyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 19206890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).