[4-(4-hex-5-enylcyclohexyl)phenyl]carbamic acid

C19H27NO2 — CID 70462906

IUPAC[4-(4-hex-5-enylcyclohexyl)phenyl]carbamic acid
SMILESC=CCCCCC1CCC(c2ccc(NC(=O)O)cc2)CC1
InChIInChI=1S/C19H27NO2/c1-2-3-4-5-6-15-7-9-16(10-8-15)17-11-13-18(14-12-17)20-19(21)22/h2,11-16,20H,1,3-10H2,(H,21,22)
InChIKeyFBUMOQTVIWEKGY-UHFFFAOYSA-N
MW301.43 g/mol
LogP5.80
Rot. Bonds7

About [4-(4-hex-5-enylcyclohexyl)phenyl]carbamic acid

[4-(4-hex-5-enylcyclohexyl)phenyl]carbamic acid (PubChem CID 70462906) has the molecular formula C19H27NO2 and a molecular weight of 301.43 g/mol. Its IUPAC name is [4-(4-hex-5-enylcyclohexyl)phenyl]carbamic acid.

Molecular Properties

Compound Name[4-(4-hex-5-enylcyclohexyl)phenyl]carbamic acid
PubChem CID70462906
Molecular FormulaC19H27NO2
Molecular Weight301.43 g/mol
Exact Mass301.20
IUPAC Name[4-(4-hex-5-enylcyclohexyl)phenyl]carbamic acid
SMILESC=CCCCCC1CCC(c2ccc(NC(=O)O)cc2)CC1
InChIInChI=1S/C19H27NO2/c1-2-3-4-5-6-15-7-9-16(10-8-15)17-11-13-18(14-12-17)20-19(21)22/h2,11-16,20H,1,3-10H2,(H,21,22)
InChIKeyFBUMOQTVIWEKGY-UHFFFAOYSA-N
XLogP5.80
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.43
LogP ≤ 55.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[4-[4-[2-(4-pentylcyclohexyl)ethyl]cyclohexyl]phenyl]prop-2-enamide
CID 135214857
N-[4-[4-(4-heptylcyclohexyl)phenyl]phenyl]-2-methylprop-2-enamide
CID 134245611
N-[4-(4-propylcyclohexyl)phenyl]prop-2-enamide
CID 134244970
4-(4-butylcyclohexyl)-N-[4-(4-methylphenyl)phenyl]benzamide
CID 138461387
N-[3-ethyl-4-[4-(4-pentylcyclohexyl)phenyl]phenyl]prop-2-enamide
CID 135214843
N-methyl-4-(4-pentylcyclohexyl)aniline;prop-2-enal
CID 142282274
1-[4-(4-but-3-enylcyclohexyl)cyclohexyl]-4-methylbenzene
CID 18724321
N-methyl-4-(4-pentylcyclohexyl)aniline;2-methylprop-2-enal
CID 142281511
1-(4-butylcyclohexyl)-4-[4-[2-(4-hept-6-enylcyclohexyl)ethenyl]phenyl]benzene
CID 59498984
2-fluoro-4-(4-hept-6-enylcyclohexyl)benzonitrile
CID 21292386
4-(4-heptylcyclohexyl)benzoic acid
CID 12700035
3-[4-(4-fluorophenyl)phenyl]-9-hex-5-enyl-6-silaspiro[5.5]undecane
CID 139674166

Frequently Asked Questions

What is the IUPAC name of [4-(4-hex-5-enylcyclohexyl)phenyl]carbamic acid?
The IUPAC name of [4-(4-hex-5-enylcyclohexyl)phenyl]carbamic acid (CID 70462906) is [4-(4-hex-5-enylcyclohexyl)phenyl]carbamic acid.
What is the SMILES notation for [4-(4-hex-5-enylcyclohexyl)phenyl]carbamic acid?
The canonical SMILES for [4-(4-hex-5-enylcyclohexyl)phenyl]carbamic acid is C=CCCCCC1CCC(c2ccc(NC(=O)O)cc2)CC1.
What is the InChIKey of [4-(4-hex-5-enylcyclohexyl)phenyl]carbamic acid?
The InChIKey is FBUMOQTVIWEKGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO2/c1-2-3-4-5-6-15-7-9-16(10-8-15)17-11-13-18(14-12-17)20-19(21)22/h2,11-16,20H,1,3-10H2,(H,21,22).
What are the key properties of [4-(4-hex-5-enylcyclohexyl)phenyl]carbamic acid?
[4-(4-hex-5-enylcyclohexyl)phenyl]carbamic acid has a molecular weight of 301.43 g/mol, XLogP of 5.80, 7 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-hex-5-enylcyclohexyl)phenyl]carbamic acid is sourced from PubChem (CID 70462906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).