3-amino-N-(2-cyanopropyl)-4-ethoxy-N-methylbenzamide

C14H19N3O2 — CID 61116071

IUPAC3-amino-N-(2-cyanopropyl)-4-ethoxy-N-methylbenzamide
SMILESCCOc1ccc(C(=O)N(C)CC(C)C#N)cc1N
InChIInChI=1S/C14H19N3O2/c1-4-19-13-6-5-11(7-12(13)16)14(18)17(3)9-10(2)8-15/h5-7,10H,4,9,16H2,1-3H3
InChIKeyGRFYQSAIQURYCO-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.90
Rot. Bonds5

About 3-amino-N-(2-cyanopropyl)-4-ethoxy-N-methylbenzamide

3-amino-N-(2-cyanopropyl)-4-ethoxy-N-methylbenzamide (PubChem CID 61116071) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 3-amino-N-(2-cyanopropyl)-4-ethoxy-N-methylbenzamide.

Molecular Properties

Compound Name3-amino-N-(2-cyanopropyl)-4-ethoxy-N-methylbenzamide
PubChem CID61116071
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name3-amino-N-(2-cyanopropyl)-4-ethoxy-N-methylbenzamide
SMILESCCOc1ccc(C(=O)N(C)CC(C)C#N)cc1N
InChIInChI=1S/C14H19N3O2/c1-4-19-13-6-5-11(7-12(13)16)14(18)17(3)9-10(2)8-15/h5-7,10H,4,9,16H2,1-3H3
InChIKeyGRFYQSAIQURYCO-UHFFFAOYSA-N
XLogP1.90
TPSA79.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-amino-N-(2-cyanopropyl)-4-ethoxy-N-methylbenzamide 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-amino-N-(2-cyanopropyl)-3-iodo-N-methylbenzamide
CID 112750818
3-amino-4-ethoxy-N-(2-methoxyethyl)-N-methylbenzamide
CID 61127519
3-[(3,4-diethoxybenzoyl)-methylamino]-2-methylpropanoic acid
CID 119227905
3-amino-4-ethoxy-N-ethyl-N-(2-methylbutyl)benzamide
CID 79477369
N-(2-cyanopropyl)-N-methyl-3-propoxybenzamide
CID 55124980
N-(2-cyanopropyl)-N-methylnaphthalene-2-carboxamide
CID 47205391
3-amino-N-(2-amino-2-oxoethyl)-4-ethoxy-N-propan-2-ylbenzamide
CID 61093294
4-amino-N-(2-cyanopropyl)-N-ethyl-3-methoxybenzamide
CID 104782607
N-(2-cyanopropyl)-N-methyl-3-propan-2-yloxybenzamide
CID 62919125
N-[(2R)-2-cyanopropyl]-N-methyl-4-[methyl(propyl)amino]benzamide
CID 95048192
3-bromo-N-(2-cyanopropyl)-N,4-dimethylbenzamide
CID 79467465
4-cyano-N-(2-cyanopropyl)-N-methylbenzamide
CID 47205390

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-cyanopropyl)-4-ethoxy-N-methylbenzamide?
The IUPAC name of 3-amino-N-(2-cyanopropyl)-4-ethoxy-N-methylbenzamide (CID 61116071) is 3-amino-N-(2-cyanopropyl)-4-ethoxy-N-methylbenzamide.
What is the SMILES notation for 3-amino-N-(2-cyanopropyl)-4-ethoxy-N-methylbenzamide?
The canonical SMILES for 3-amino-N-(2-cyanopropyl)-4-ethoxy-N-methylbenzamide is CCOc1ccc(C(=O)N(C)CC(C)C#N)cc1N.
What is the InChIKey of 3-amino-N-(2-cyanopropyl)-4-ethoxy-N-methylbenzamide?
The InChIKey is GRFYQSAIQURYCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-4-19-13-6-5-11(7-12(13)16)14(18)17(3)9-10(2)8-15/h5-7,10H,4,9,16H2,1-3H3.
What are the key properties of 3-amino-N-(2-cyanopropyl)-4-ethoxy-N-methylbenzamide?
3-amino-N-(2-cyanopropyl)-4-ethoxy-N-methylbenzamide has a molecular weight of 261.32 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-cyanopropyl)-4-ethoxy-N-methylbenzamide is sourced from PubChem (CID 61116071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).