N-(1-cyanocyclohexyl)-2-[2-hydroxyethyl(prop-2-enyl)amino]acetamide

C14H23N3O2 — CID 111423158

IUPACN-(1-cyanocyclohexyl)-2-[2-hydroxyethyl(prop-2-enyl)amino]acetamide
SMILESC=CCN(CCO)CC(=O)NC1(C#N)CCCCC1
InChIInChI=1S/C14H23N3O2/c1-2-8-17(9-10-18)11-13(19)16-14(12-15)6-4-3-5-7-14/h2,18H,1,3-11H2,(H,16,19)
InChIKeyODKRAQPWXVLYLF-UHFFFAOYSA-N
MW265.36 g/mol
LogP0.81
Rot. Bonds7

About N-(1-cyanocyclohexyl)-2-[2-hydroxyethyl(prop-2-enyl)amino]acetamide

N-(1-cyanocyclohexyl)-2-[2-hydroxyethyl(prop-2-enyl)amino]acetamide (PubChem CID 111423158) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is N-(1-cyanocyclohexyl)-2-[2-hydroxyethyl(prop-2-enyl)amino]acetamide.

Molecular Properties

Compound NameN-(1-cyanocyclohexyl)-2-[2-hydroxyethyl(prop-2-enyl)amino]acetamide
PubChem CID111423158
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC NameN-(1-cyanocyclohexyl)-2-[2-hydroxyethyl(prop-2-enyl)amino]acetamide
SMILESC=CCN(CCO)CC(=O)NC1(C#N)CCCCC1
InChIInChI=1S/C14H23N3O2/c1-2-8-17(9-10-18)11-13(19)16-14(12-15)6-4-3-5-7-14/h2,18H,1,3-11H2,(H,16,19)
InChIKeyODKRAQPWXVLYLF-UHFFFAOYSA-N
XLogP0.81
TPSA76.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(1-cyanocyclohexyl)-2-[2-hydroxyethyl(prop-2-enyl)amino]acetamide 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

2-bromo-N-(1-cyanocycloheptyl)acetamide
CID 63680243
N-(1-cyanocyclohexyl)-2-[ethyl(methyl)amino]acetamide
CID 60516717
2-[2-aminoethyl(methyl)amino]-N-(1-cyanocyclohexyl)acetamide
CID 62687725
methyl 2-[[2-[(1-cyanocyclohexyl)amino]-2-oxoethyl]-methylamino]acetate
CID 60660513
N-(1-cyanocycloheptyl)-2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]acetamide
CID 134018511
N-(1-cyanocyclopentyl)-2-(dibenzylamino)acetamide
CID 51170595
N-(1-cyanocyclopentyl)-2-(2-hydroxyethylsulfanyl)acetamide
CID 43392467
N-(1-cyanocyclopentyl)propanamide
CID 55029198
2-[benzyl(ethyl)amino]-N-(1-cyanocyclohexyl)acetamide
CID 18129609
4-[(1-cyanocyclohexyl)amino]-4-oxobutanoic acid
CID 82287344
N-(1-cyanocyclooctyl)hexanamide
CID 54904747
N-(3-cyano-1-cyclopentyl-4,5-dimethylpyrrol-2-yl)-2-[2-hydroxyethyl(prop-2-enyl)amino]acetamide
CID 111423084

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanocyclohexyl)-2-[2-hydroxyethyl(prop-2-enyl)amino]acetamide?
The IUPAC name of N-(1-cyanocyclohexyl)-2-[2-hydroxyethyl(prop-2-enyl)amino]acetamide (CID 111423158) is N-(1-cyanocyclohexyl)-2-[2-hydroxyethyl(prop-2-enyl)amino]acetamide.
What is the SMILES notation for N-(1-cyanocyclohexyl)-2-[2-hydroxyethyl(prop-2-enyl)amino]acetamide?
The canonical SMILES for N-(1-cyanocyclohexyl)-2-[2-hydroxyethyl(prop-2-enyl)amino]acetamide is C=CCN(CCO)CC(=O)NC1(C#N)CCCCC1.
What is the InChIKey of N-(1-cyanocyclohexyl)-2-[2-hydroxyethyl(prop-2-enyl)amino]acetamide?
The InChIKey is ODKRAQPWXVLYLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-2-8-17(9-10-18)11-13(19)16-14(12-15)6-4-3-5-7-14/h2,18H,1,3-11H2,(H,16,19).
What are the key properties of N-(1-cyanocyclohexyl)-2-[2-hydroxyethyl(prop-2-enyl)amino]acetamide?
N-(1-cyanocyclohexyl)-2-[2-hydroxyethyl(prop-2-enyl)amino]acetamide has a molecular weight of 265.36 g/mol, XLogP of 0.81, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanocyclohexyl)-2-[2-hydroxyethyl(prop-2-enyl)amino]acetamide is sourced from PubChem (CID 111423158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).