N-(2-cyanoethyl)-2-[(3-ethylcyclohexyl)amino]acetamide

C13H23N3O — CID 64743964

IUPACN-(2-cyanoethyl)-2-[(3-ethylcyclohexyl)amino]acetamide
SMILESCCC1CCCC(NCC(=O)NCCC#N)C1
InChIInChI=1S/C13H23N3O/c1-2-11-5-3-6-12(9-11)16-10-13(17)15-8-4-7-14/h11-12,16H,2-6,8-10H2,1H3,(H,15,17)
InChIKeyFEQKVGJCHSESDU-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.57
Rot. Bonds6

About N-(2-cyanoethyl)-2-[(3-ethylcyclohexyl)amino]acetamide

N-(2-cyanoethyl)-2-[(3-ethylcyclohexyl)amino]acetamide (PubChem CID 64743964) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is N-(2-cyanoethyl)-2-[(3-ethylcyclohexyl)amino]acetamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-2-[(3-ethylcyclohexyl)amino]acetamide
PubChem CID64743964
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC NameN-(2-cyanoethyl)-2-[(3-ethylcyclohexyl)amino]acetamide
SMILESCCC1CCCC(NCC(=O)NCCC#N)C1
InChIInChI=1S/C13H23N3O/c1-2-11-5-3-6-12(9-11)16-10-13(17)15-8-4-7-14/h11-12,16H,2-6,8-10H2,1H3,(H,15,17)
InChIKeyFEQKVGJCHSESDU-UHFFFAOYSA-N
XLogP1.57
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-cyclohexyl-2-[(3-ethylcyclohexyl)amino]acetamide
CID 64742794
2-cyano-N-(3-ethylcyclohexyl)acetamide
CID 64748833
2-[[(3-ethylcyclohexyl)amino]methyl]prop-2-enoic acid
CID 103253788
N-(2-cyanoethyl)-2-[(1-propylpiperidin-4-yl)amino]acetamide
CID 60695587
N-ethyl-3-[(3-ethylcyclohexyl)amino]propanamide
CID 64743974
N-(2-cyanoethyl)-2-[(2,4-dimethylcyclohexyl)amino]acetamide
CID 63995878
2-[(3-ethylcyclohexyl)amino]-N-(4-methylphenyl)acetamide
CID 64742801
N-(2-chloroprop-2-enyl)-3-ethylcyclohexan-1-amine
CID 64741238
N-(cyanomethyl)-2-(cyclohexylamino)acetamide
CID 28565070
3-ethyl-N-(2-methylidenebutyl)cyclohexan-1-amine
CID 66044278
N-(2-cyanoethyl)-2-(2-cyclopropylpropan-2-ylamino)acetamide
CID 104577956
2-(cyclopentylamino)-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]acetamide
CID 65120006

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-2-[(3-ethylcyclohexyl)amino]acetamide?
The IUPAC name of N-(2-cyanoethyl)-2-[(3-ethylcyclohexyl)amino]acetamide (CID 64743964) is N-(2-cyanoethyl)-2-[(3-ethylcyclohexyl)amino]acetamide.
What is the SMILES notation for N-(2-cyanoethyl)-2-[(3-ethylcyclohexyl)amino]acetamide?
The canonical SMILES for N-(2-cyanoethyl)-2-[(3-ethylcyclohexyl)amino]acetamide is CCC1CCCC(NCC(=O)NCCC#N)C1.
What is the InChIKey of N-(2-cyanoethyl)-2-[(3-ethylcyclohexyl)amino]acetamide?
The InChIKey is FEQKVGJCHSESDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-2-11-5-3-6-12(9-11)16-10-13(17)15-8-4-7-14/h11-12,16H,2-6,8-10H2,1H3,(H,15,17).
What are the key properties of N-(2-cyanoethyl)-2-[(3-ethylcyclohexyl)amino]acetamide?
N-(2-cyanoethyl)-2-[(3-ethylcyclohexyl)amino]acetamide has a molecular weight of 237.35 g/mol, XLogP of 1.57, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-2-[(3-ethylcyclohexyl)amino]acetamide is sourced from PubChem (CID 64743964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).