[4-[(E)-2-ethylhept-5-enyl]cyclohexyl]carbamic acid

C16H29NO2 — CID 166940438

IUPAC[4-[(E)-2-ethylhept-5-enyl]cyclohexyl]carbamic acid
SMILESC/C=C/CCC(CC)CC1CCC(NC(=O)O)CC1
InChIInChI=1S/C16H29NO2/c1-3-5-6-7-13(4-2)12-14-8-10-15(11-9-14)17-16(18)19/h3,5,13-15,17H,4,6-12H2,1-2H3,(H,18,19)/b5-3+
InChIKeyGYSRUQBPHINONT-HWKANZROSA-N
MW267.41 g/mol
LogP4.59
Rot. Bonds7

About [4-[(E)-2-ethylhept-5-enyl]cyclohexyl]carbamic acid

[4-[(E)-2-ethylhept-5-enyl]cyclohexyl]carbamic acid (PubChem CID 166940438) has the molecular formula C16H29NO2 and a molecular weight of 267.41 g/mol. Its IUPAC name is [4-[(E)-2-ethylhept-5-enyl]cyclohexyl]carbamic acid.

Molecular Properties

Compound Name[4-[(E)-2-ethylhept-5-enyl]cyclohexyl]carbamic acid
PubChem CID166940438
Molecular FormulaC16H29NO2
Molecular Weight267.41 g/mol
Exact Mass267.22
IUPAC Name[4-[(E)-2-ethylhept-5-enyl]cyclohexyl]carbamic acid
SMILESC/C=C/CCC(CC)CC1CCC(NC(=O)O)CC1
InChIInChI=1S/C16H29NO2/c1-3-5-6-7-13(4-2)12-14-8-10-15(11-9-14)17-16(18)19/h3,5,13-15,17H,4,6-12H2,1-2H3,(H,18,19)/b5-3+
InChIKeyGYSRUQBPHINONT-HWKANZROSA-N
XLogP4.59
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.41
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze [4-[(E)-2-ethylhept-5-enyl]cyclohexyl]carbamic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-[(E)-but-2-enoxy]cyclohexyl]carbamic acid
CID 155351697
[4-[[4-(propanoylamino)cyclohexyl]methyl]cyclohexyl]carbamic acid
CID 70827651
[4-(iodomethyl)cyclohexyl]carbamic acid
CID 89239782
[4-(methoxymethyl)cyclohexyl]carbamic acid
CID 66699748
4-amino-5-[(4-ethylcyclohexyl)amino]-5-oxopentanoic acid
CID 64888758
[3-[(E)-but-2-enoxy]cyclobutyl]carbamic acid
CID 155351782
(3-but-2-enoxycyclobutyl)carbamic acid
CID 155351785
3-[(4-ethylcyclohexyl)amino]-2-methyl-3-oxopropanoic acid
CID 114898215
4-amino-N-(4-ethylcyclohexyl)pentanamide;hydrochloride
CID 120560101
(E)-4-[(4-ethylcyclohexyl)amino]-4-oxobut-2-enoic acid
CID 82239004
N-cyclopropyl-2-ethylbutanamide
CID 5151098
(3-ethylcyclobutyl)carbamic acid
CID 89387578

Frequently Asked Questions

What is the IUPAC name of [4-[(E)-2-ethylhept-5-enyl]cyclohexyl]carbamic acid?
The IUPAC name of [4-[(E)-2-ethylhept-5-enyl]cyclohexyl]carbamic acid (CID 166940438) is [4-[(E)-2-ethylhept-5-enyl]cyclohexyl]carbamic acid.
What is the SMILES notation for [4-[(E)-2-ethylhept-5-enyl]cyclohexyl]carbamic acid?
The canonical SMILES for [4-[(E)-2-ethylhept-5-enyl]cyclohexyl]carbamic acid is C/C=C/CCC(CC)CC1CCC(NC(=O)O)CC1.
What is the InChIKey of [4-[(E)-2-ethylhept-5-enyl]cyclohexyl]carbamic acid?
The InChIKey is GYSRUQBPHINONT-HWKANZROSA-N. The full InChI is InChI=1S/C16H29NO2/c1-3-5-6-7-13(4-2)12-14-8-10-15(11-9-14)17-16(18)19/h3,5,13-15,17H,4,6-12H2,1-2H3,(H,18,19)/b5-3+.
What are the key properties of [4-[(E)-2-ethylhept-5-enyl]cyclohexyl]carbamic acid?
[4-[(E)-2-ethylhept-5-enyl]cyclohexyl]carbamic acid has a molecular weight of 267.41 g/mol, XLogP of 4.59, 7 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(E)-2-ethylhept-5-enyl]cyclohexyl]carbamic acid is sourced from PubChem (CID 166940438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).