4-butyl-N-(2,5-dimethoxyphenyl)cyclohexane-1-carboxamide

C19H29NO3 — CID 19206893

IUPAC4-butyl-N-(2,5-dimethoxyphenyl)cyclohexane-1-carboxamide
SMILESCCCCC1CCC(C(=O)Nc2cc(OC)ccc2OC)CC1
InChIInChI=1S/C19H29NO3/c1-4-5-6-14-7-9-15(10-8-14)19(21)20-17-13-16(22-2)11-12-18(17)23-3/h11-15H,4-10H2,1-3H3,(H,20,21)
InChIKeyLXFFEVCWXGVWHR-UHFFFAOYSA-N
MW319.44 g/mol
LogP4.64
Rot. Bonds7

About 4-butyl-N-(2,5-dimethoxyphenyl)cyclohexane-1-carboxamide

4-butyl-N-(2,5-dimethoxyphenyl)cyclohexane-1-carboxamide (PubChem CID 19206893) has the molecular formula C19H29NO3 and a molecular weight of 319.44 g/mol. Its IUPAC name is 4-butyl-N-(2,5-dimethoxyphenyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-butyl-N-(2,5-dimethoxyphenyl)cyclohexane-1-carboxamide
PubChem CID19206893
Molecular FormulaC19H29NO3
Molecular Weight319.44 g/mol
Exact Mass319.21
IUPAC Name4-butyl-N-(2,5-dimethoxyphenyl)cyclohexane-1-carboxamide
SMILESCCCCC1CCC(C(=O)Nc2cc(OC)ccc2OC)CC1
InChIInChI=1S/C19H29NO3/c1-4-5-6-14-7-9-15(10-8-14)19(21)20-17-13-16(22-2)11-12-18(17)23-3/h11-15H,4-10H2,1-3H3,(H,20,21)
InChIKeyLXFFEVCWXGVWHR-UHFFFAOYSA-N
XLogP4.64
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.44
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-butyl-N-(4-methoxyphenyl)cyclohexane-1-carboxamide
CID 19206890
1-butanoyl-N-(2,5-dimethoxyphenyl)piperidine-4-carboxamide
CID 113007690
N-(2,5-dimethoxyphenyl)-1-methylpiperidine-4-carboxamide
CID 95968075
4-butyl-N-[4-(methanesulfonamido)-3-methoxyphenyl]cyclohexane-1-carboxamide
CID 37257828
N-(5-ethyl-2-methoxyphenyl)cyclopropanecarboxamide
CID 110777232
4-N-(2,5-dimethoxyphenyl)-1-N-(3-methylphenyl)cyclohexane-1,4-dicarboxamide
CID 109150438
N-(2,5-dimethoxyphenyl)-2,3-dihydro-1H-indene-2-carboxamide
CID 112520928
1-(2-amino-2-oxoethyl)-N-(2,5-dimethoxyphenyl)piperidine-4-carboxamide
CID 16909214
(2S,4S)-N-(2-butoxy-5-methoxyphenyl)-2-methylpiperidine-4-carboxamide
CID 120621294
N-(2,5-dimethoxyphenyl)-4-ethylpiperidine-2-carboxamide
CID 114427861
N-[4-[(4-butylcyclohexanecarbonyl)amino]-2,5-diethoxyphenyl]benzamide
CID 19207017
N-[1-(2,5-dimethoxyanilino)-3-methyl-1-oxopentan-2-yl]-4-methylcyclohexane-1-carboxamide
CID 6619109

Frequently Asked Questions

What is the IUPAC name of 4-butyl-N-(2,5-dimethoxyphenyl)cyclohexane-1-carboxamide?
The IUPAC name of 4-butyl-N-(2,5-dimethoxyphenyl)cyclohexane-1-carboxamide (CID 19206893) is 4-butyl-N-(2,5-dimethoxyphenyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 4-butyl-N-(2,5-dimethoxyphenyl)cyclohexane-1-carboxamide?
The canonical SMILES for 4-butyl-N-(2,5-dimethoxyphenyl)cyclohexane-1-carboxamide is CCCCC1CCC(C(=O)Nc2cc(OC)ccc2OC)CC1.
What is the InChIKey of 4-butyl-N-(2,5-dimethoxyphenyl)cyclohexane-1-carboxamide?
The InChIKey is LXFFEVCWXGVWHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO3/c1-4-5-6-14-7-9-15(10-8-14)19(21)20-17-13-16(22-2)11-12-18(17)23-3/h11-15H,4-10H2,1-3H3,(H,20,21).
What are the key properties of 4-butyl-N-(2,5-dimethoxyphenyl)cyclohexane-1-carboxamide?
4-butyl-N-(2,5-dimethoxyphenyl)cyclohexane-1-carboxamide has a molecular weight of 319.44 g/mol, XLogP of 4.64, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-N-(2,5-dimethoxyphenyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 19206893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).