3-[3-(ethylamino)propanoylamino]-N,2-dimethylbenzamide

C14H21N3O2 — CID 62835659

IUPAC3-[3-(ethylamino)propanoylamino]-N,2-dimethylbenzamide
SMILESCCNCCC(=O)Nc1cccc(C(=O)NC)c1C
InChIInChI=1S/C14H21N3O2/c1-4-16-9-8-13(18)17-12-7-5-6-11(10(12)2)14(19)15-3/h5-7,16H,4,8-9H2,1-3H3,(H,15,19)(H,17,18)
InChIKeyRBVGZBNDJSUUGX-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.29
Rot. Bonds6

About 3-[3-(ethylamino)propanoylamino]-N,2-dimethylbenzamide

3-[3-(ethylamino)propanoylamino]-N,2-dimethylbenzamide (PubChem CID 62835659) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 3-[3-(ethylamino)propanoylamino]-N,2-dimethylbenzamide.

Molecular Properties

Compound Name3-[3-(ethylamino)propanoylamino]-N,2-dimethylbenzamide
PubChem CID62835659
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name3-[3-(ethylamino)propanoylamino]-N,2-dimethylbenzamide
SMILESCCNCCC(=O)Nc1cccc(C(=O)NC)c1C
InChIInChI=1S/C14H21N3O2/c1-4-16-9-8-13(18)17-12-7-5-6-11(10(12)2)14(19)15-3/h5-7,16H,4,8-9H2,1-3H3,(H,15,19)(H,17,18)
InChIKeyRBVGZBNDJSUUGX-UHFFFAOYSA-N
XLogP1.29
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-[3-(ethylamino)propanoylamino]-N,2-dimethylbenzamide 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-(4-hydroxypentanoylamino)-N,2-dimethylbenzamide
CID 79204866
6-[2-methyl-3-(methylcarbamoyl)anilino]-6-oxohexanoic acid
CID 60940913
2-[2-[2-methyl-3-(methylcarbamoyl)anilino]-2-oxoethoxy]acetic acid
CID 61329614
N,2-dimethyl-3-[[2-(trifluoromethylsulfanyl)acetyl]amino]benzamide
CID 47029177
3-[(4-ethylbenzoyl)amino]-N,2-dimethylbenzamide
CID 46461694
N-(2-chlorophenyl)-3-(ethylamino)propanamide
CID 62832290
2-(3-acetamidopropanoylamino)-N-methylbenzamide
CID 110606657
2-chloro-5-[3-(ethylamino)propanoylamino]-N-methylbenzamide
CID 62835283
2-hydroxyethyl N-[2-methyl-3-(methylcarbamoyl)phenyl]carbamate
CID 79346622
3-[[2-(aminomethyl)-2-ethylbutanoyl]amino]-N,2-dimethylbenzamide
CID 115431926
3-[[2-(cyclopentanecarbonylamino)acetyl]amino]-N,2-dimethylbenzamide
CID 46434201
3-[[(2R)-2-aminopropanoyl]amino]-N,2-dimethylbenzamide
CID 54996136

Frequently Asked Questions

What is the IUPAC name of 3-[3-(ethylamino)propanoylamino]-N,2-dimethylbenzamide?
The IUPAC name of 3-[3-(ethylamino)propanoylamino]-N,2-dimethylbenzamide (CID 62835659) is 3-[3-(ethylamino)propanoylamino]-N,2-dimethylbenzamide.
What is the SMILES notation for 3-[3-(ethylamino)propanoylamino]-N,2-dimethylbenzamide?
The canonical SMILES for 3-[3-(ethylamino)propanoylamino]-N,2-dimethylbenzamide is CCNCCC(=O)Nc1cccc(C(=O)NC)c1C.
What is the InChIKey of 3-[3-(ethylamino)propanoylamino]-N,2-dimethylbenzamide?
The InChIKey is RBVGZBNDJSUUGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-4-16-9-8-13(18)17-12-7-5-6-11(10(12)2)14(19)15-3/h5-7,16H,4,8-9H2,1-3H3,(H,15,19)(H,17,18).
What are the key properties of 3-[3-(ethylamino)propanoylamino]-N,2-dimethylbenzamide?
3-[3-(ethylamino)propanoylamino]-N,2-dimethylbenzamide has a molecular weight of 263.34 g/mol, XLogP of 1.29, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(ethylamino)propanoylamino]-N,2-dimethylbenzamide is sourced from PubChem (CID 62835659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).