N-(2-cyanophenyl)-2-[ethyl(propan-2-yl)amino]acetamide

C14H19N3O — CID 43265776

IUPACN-(2-cyanophenyl)-2-[ethyl(propan-2-yl)amino]acetamide
SMILESCCN(CC(=O)Nc1ccccc1C#N)C(C)C
InChIInChI=1S/C14H19N3O/c1-4-17(11(2)3)10-14(18)16-13-8-6-5-7-12(13)9-15/h5-8,11H,4,10H2,1-3H3,(H,16,18)
InChIKeyDJAKDIWPHISPLI-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.23
Rot. Bonds5

About N-(2-cyanophenyl)-2-[ethyl(propan-2-yl)amino]acetamide

N-(2-cyanophenyl)-2-[ethyl(propan-2-yl)amino]acetamide (PubChem CID 43265776) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is N-(2-cyanophenyl)-2-[ethyl(propan-2-yl)amino]acetamide.

Molecular Properties

Compound NameN-(2-cyanophenyl)-2-[ethyl(propan-2-yl)amino]acetamide
PubChem CID43265776
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC NameN-(2-cyanophenyl)-2-[ethyl(propan-2-yl)amino]acetamide
SMILESCCN(CC(=O)Nc1ccccc1C#N)C(C)C
InChIInChI=1S/C14H19N3O/c1-4-17(11(2)3)10-14(18)16-13-8-6-5-7-12(13)9-15/h5-8,11H,4,10H2,1-3H3,(H,16,18)
InChIKeyDJAKDIWPHISPLI-UHFFFAOYSA-N
XLogP2.23
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(2-cyanophenyl)-2-[ethyl(propan-2-yl)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

3-[[2-(2-cyanoanilino)-2-oxoethyl]-ethylamino]butanoic acid
CID 62826763
2-[butan-2-yl(2-methoxyethyl)amino]-N-(2-cyanophenyl)acetamide
CID 60967697
N-(2-cyanophenyl)-2-[3-hydroxybutyl(methyl)amino]acetamide
CID 115666891
N-(2-cyanophenyl)-2-propan-2-ylsulfonylacetamide
CID 63172628
N-(2-cyanophenyl)-2-[cyclopropylmethyl(ethyl)amino]acetamide
CID 63955371
N-(2-cyanophenyl)-4-propan-2-ylsulfonylbutanamide
CID 64692660
2-[[3-(2-cyanoanilino)-3-oxopropyl]-ethylamino]acetic acid
CID 61012302
ethyl 2-[[2-(2-cyanoanilino)-2-oxoethyl]-methylamino]acetate
CID 62011415
2-[(3-amino-2,2-dimethylpropyl)-ethylamino]-N-(2-cyanophenyl)acetamide
CID 79664547
N-(2-cyanophenyl)-2-(2,6-diethyl-N-methylsulfonylanilino)acetamide
CID 113154456
5-(2-cyanoanilino)-3-methyl-5-oxopentanoic acid
CID 55155791
N-(2-cyanophenyl)-N'-(2,6-diethylphenyl)propanediamide
CID 108954547

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanophenyl)-2-[ethyl(propan-2-yl)amino]acetamide?
The IUPAC name of N-(2-cyanophenyl)-2-[ethyl(propan-2-yl)amino]acetamide (CID 43265776) is N-(2-cyanophenyl)-2-[ethyl(propan-2-yl)amino]acetamide.
What is the SMILES notation for N-(2-cyanophenyl)-2-[ethyl(propan-2-yl)amino]acetamide?
The canonical SMILES for N-(2-cyanophenyl)-2-[ethyl(propan-2-yl)amino]acetamide is CCN(CC(=O)Nc1ccccc1C#N)C(C)C.
What is the InChIKey of N-(2-cyanophenyl)-2-[ethyl(propan-2-yl)amino]acetamide?
The InChIKey is DJAKDIWPHISPLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-4-17(11(2)3)10-14(18)16-13-8-6-5-7-12(13)9-15/h5-8,11H,4,10H2,1-3H3,(H,16,18).
What are the key properties of N-(2-cyanophenyl)-2-[ethyl(propan-2-yl)amino]acetamide?
N-(2-cyanophenyl)-2-[ethyl(propan-2-yl)amino]acetamide has a molecular weight of 245.33 g/mol, XLogP of 2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanophenyl)-2-[ethyl(propan-2-yl)amino]acetamide is sourced from PubChem (CID 43265776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).