4-butyl-N-[4-(hydroxymethyl)phenyl]cyclohexane-1-carboxamide

C18H27NO2 — CID 64792837

IUPAC4-butyl-N-[4-(hydroxymethyl)phenyl]cyclohexane-1-carboxamide
SMILESCCCCC1CCC(C(=O)Nc2ccc(CO)cc2)CC1
InChIInChI=1S/C18H27NO2/c1-2-3-4-14-5-9-16(10-6-14)18(21)19-17-11-7-15(13-20)8-12-17/h7-8,11-12,14,16,20H,2-6,9-10,13H2,1H3,(H,19,21)
InChIKeyPZAZGZZIXAEDQF-UHFFFAOYSA-N
MW289.42 g/mol
LogP4.11
Rot. Bonds6

About 4-butyl-N-[4-(hydroxymethyl)phenyl]cyclohexane-1-carboxamide

4-butyl-N-[4-(hydroxymethyl)phenyl]cyclohexane-1-carboxamide (PubChem CID 64792837) has the molecular formula C18H27NO2 and a molecular weight of 289.42 g/mol. Its IUPAC name is 4-butyl-N-[4-(hydroxymethyl)phenyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-butyl-N-[4-(hydroxymethyl)phenyl]cyclohexane-1-carboxamide
PubChem CID64792837
Molecular FormulaC18H27NO2
Molecular Weight289.42 g/mol
Exact Mass289.20
IUPAC Name4-butyl-N-[4-(hydroxymethyl)phenyl]cyclohexane-1-carboxamide
SMILESCCCCC1CCC(C(=O)Nc2ccc(CO)cc2)CC1
InChIInChI=1S/C18H27NO2/c1-2-3-4-14-5-9-16(10-6-14)18(21)19-17-11-7-15(13-20)8-12-17/h7-8,11-12,14,16,20H,2-6,9-10,13H2,1H3,(H,19,21)
InChIKeyPZAZGZZIXAEDQF-UHFFFAOYSA-N
XLogP4.11
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(2-aminobutyl)phenyl]-4-butylcyclohexane-1-carboxamide
CID 82259804
4-butyl-N-[4-(dimethylamino)phenyl]cyclohexane-1-carboxamide
CID 19206977
4-butyl-N-(4-methoxyphenyl)cyclohexane-1-carboxamide
CID 19206890
4-[(4-butylcyclohexanecarbonyl)amino]benzamide
CID 8884677
N-[4-(2-bromo-3-methylbutyl)phenyl]-4-butylcyclohexane-1-carboxamide
CID 82259475
4-butyl-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]cyclohexane-1-carboxamide
CID 108737739
4-butyl-N-[4-(2-chloropropanoyl)phenyl]cyclohexane-1-carboxamide
CID 82259069
N-[4-(hydroxymethyl)phenyl]cyclobutanecarboxamide
CID 64792635
N-[4-[[4-(hydroxymethyl)phenyl]methylamino]phenyl]cyclopropanecarboxamide
CID 110006449
N-(3-acetylphenyl)-4-butylcyclohexane-1-carboxamide
CID 19206974
4-butyl-N-[4-(6-ethylsulfonylpyridazin-3-yl)phenyl]cyclohexane-1-carboxamide
CID 41213174
4-butyl-N-[4-(methanesulfonamido)-3-methoxyphenyl]cyclohexane-1-carboxamide
CID 37257828

Frequently Asked Questions

What is the IUPAC name of 4-butyl-N-[4-(hydroxymethyl)phenyl]cyclohexane-1-carboxamide?
The IUPAC name of 4-butyl-N-[4-(hydroxymethyl)phenyl]cyclohexane-1-carboxamide (CID 64792837) is 4-butyl-N-[4-(hydroxymethyl)phenyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-butyl-N-[4-(hydroxymethyl)phenyl]cyclohexane-1-carboxamide?
The canonical SMILES for 4-butyl-N-[4-(hydroxymethyl)phenyl]cyclohexane-1-carboxamide is CCCCC1CCC(C(=O)Nc2ccc(CO)cc2)CC1.
What is the InChIKey of 4-butyl-N-[4-(hydroxymethyl)phenyl]cyclohexane-1-carboxamide?
The InChIKey is PZAZGZZIXAEDQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO2/c1-2-3-4-14-5-9-16(10-6-14)18(21)19-17-11-7-15(13-20)8-12-17/h7-8,11-12,14,16,20H,2-6,9-10,13H2,1H3,(H,19,21).
What are the key properties of 4-butyl-N-[4-(hydroxymethyl)phenyl]cyclohexane-1-carboxamide?
4-butyl-N-[4-(hydroxymethyl)phenyl]cyclohexane-1-carboxamide has a molecular weight of 289.42 g/mol, XLogP of 4.11, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-N-[4-(hydroxymethyl)phenyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 64792837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).