N-cyclohexyl-N-(2-hydroxypropyl)prop-2-enamide

C12H21NO2 — CID 154142373

IUPACN-cyclohexyl-N-(2-hydroxypropyl)prop-2-enamide
SMILESC=CC(=O)N(CC(C)O)C1CCCCC1
InChIInChI=1S/C12H21NO2/c1-3-12(15)13(9-10(2)14)11-7-5-4-6-8-11/h3,10-11,14H,1,4-9H2,2H3
InChIKeyREWIWCKGGYQQPK-UHFFFAOYSA-N
MW211.30 g/mol
LogP1.71
Rot. Bonds4

About N-cyclohexyl-N-(2-hydroxypropyl)prop-2-enamide

N-cyclohexyl-N-(2-hydroxypropyl)prop-2-enamide (PubChem CID 154142373) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is N-cyclohexyl-N-(2-hydroxypropyl)prop-2-enamide.

Molecular Properties

Compound NameN-cyclohexyl-N-(2-hydroxypropyl)prop-2-enamide
PubChem CID154142373
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC NameN-cyclohexyl-N-(2-hydroxypropyl)prop-2-enamide
SMILESC=CC(=O)N(CC(C)O)C1CCCCC1
InChIInChI=1S/C12H21NO2/c1-3-12(15)13(9-10(2)14)11-7-5-4-6-8-11/h3,10-11,14H,1,4-9H2,2H3
InChIKeyREWIWCKGGYQQPK-UHFFFAOYSA-N
XLogP1.71
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze N-cyclohexyl-N-(2-hydroxypropyl)prop-2-enamide 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

N,N-bis(2-hydroxypropyl)prop-2-enamide
CID 19437431
N-cyclohexyl-N-(1-hydroxyethyl)prop-2-enamide
CID 23224348
N-cyclohexyl-N-(2-hydroxypropyl)-2-methylprop-2-enamide
CID 53812618
N-cyclohexyl-N-(2-hydroxyethyl)prop-2-enamide
CID 55028792
N-hexyl-N-(2-hydroxyethyl)prop-2-enamide
CID 60948315
N-(2-hydroxyethyl)-N-octylprop-2-enamide
CID 85678767
N-cyclohexyl-N-(2-hydroxyethyl)-2-methylprop-2-enamide
CID 89824133
N-cyclohexyl-N-(2-ethoxyethyl)prop-2-enamide
CID 117733552
1-(3-Hydroxyhexan-2-yl)pyrrole-2,5-dione
CID 121483290
N-hexyl-N-(3-methoxybutan-2-yl)prop-2-enamide
CID 134504818
N-(4-Hydroxycyclohexyl)-N-methylprop-2-enamide
CID 137928740
N-butan-2-yl-N-(2-hydroxypropyl)prop-2-enamide
CID 149814099

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-(2-hydroxypropyl)prop-2-enamide?
The IUPAC name of N-cyclohexyl-N-(2-hydroxypropyl)prop-2-enamide (CID 154142373) is N-cyclohexyl-N-(2-hydroxypropyl)prop-2-enamide.
What is the SMILES notation for N-cyclohexyl-N-(2-hydroxypropyl)prop-2-enamide?
The canonical SMILES for N-cyclohexyl-N-(2-hydroxypropyl)prop-2-enamide is C=CC(=O)N(CC(C)O)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-N-(2-hydroxypropyl)prop-2-enamide?
The InChIKey is REWIWCKGGYQQPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c1-3-12(15)13(9-10(2)14)11-7-5-4-6-8-11/h3,10-11,14H,1,4-9H2,2H3.
What are the key properties of N-cyclohexyl-N-(2-hydroxypropyl)prop-2-enamide?
N-cyclohexyl-N-(2-hydroxypropyl)prop-2-enamide has a molecular weight of 211.30 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-(2-hydroxypropyl)prop-2-enamide is sourced from PubChem (CID 154142373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).