N-[(2-aminophenyl)methyl]-3-ethoxy-N-ethylpropanamide

C14H22N2O2 — CID 62589527

IUPACN-[(2-aminophenyl)methyl]-3-ethoxy-N-ethylpropanamide
SMILESCCOCCC(=O)N(CC)Cc1ccccc1N
InChIInChI=1S/C14H22N2O2/c1-3-16(14(17)9-10-18-4-2)11-12-7-5-6-8-13(12)15/h5-8H,3-4,9-11,15H2,1-2H3
InChIKeyZYAFEOLMNCQHQJ-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.04
Rot. Bonds7

About N-[(2-aminophenyl)methyl]-3-ethoxy-N-ethylpropanamide

N-[(2-aminophenyl)methyl]-3-ethoxy-N-ethylpropanamide (PubChem CID 62589527) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is N-[(2-aminophenyl)methyl]-3-ethoxy-N-ethylpropanamide.

Molecular Properties

Compound NameN-[(2-aminophenyl)methyl]-3-ethoxy-N-ethylpropanamide
PubChem CID62589527
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC NameN-[(2-aminophenyl)methyl]-3-ethoxy-N-ethylpropanamide
SMILESCCOCCC(=O)N(CC)Cc1ccccc1N
InChIInChI=1S/C14H22N2O2/c1-3-16(14(17)9-10-18-4-2)11-12-7-5-6-8-13(12)15/h5-8H,3-4,9-11,15H2,1-2H3
InChIKeyZYAFEOLMNCQHQJ-UHFFFAOYSA-N
XLogP2.04
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[(2-aminophenyl)methyl]-3-ethoxy-N-ethylpropanamide 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

N-[(2-aminophenyl)methyl]-N-ethylheptanamide
CID 114751955
2-[[2-ethoxyethyl(methyl)amino]methyl]aniline
CID 43458606
N-[(2-aminophenyl)methyl]-N-cyclopropyl-3-methoxypropanamide
CID 55091731
3-(2-aminophenyl)-N-ethyl-N-[(4-methoxyphenyl)methyl]propanamide
CID 120609423
3-(2-aminophenyl)-N-ethyl-N-propylpropanamide
CID 43309247
N-[(2-aminophenyl)methyl]-N-ethyl-2-methylbutanamide
CID 43459253
3-(2-aminophenyl)-N-(2-ethoxyethyl)-N-methylpropanamide
CID 81061981
2-(2-ethoxyethyl)aniline
CID 14619442
3-amino-N-[(2-chlorophenyl)methyl]-N-ethylpropanamide
CID 60938834
N-[(2-aminophenyl)methyl]-4-bromo-N-ethylbenzamide
CID 43459287
N-[(2-aminophenyl)methyl]-3-(2,2-difluoroethoxy)-N-propan-2-ylpropanamide
CID 103205555
3-[(2-aminophenyl)methyl]-1,1-diethylurea
CID 79153335

Frequently Asked Questions

What is the IUPAC name of N-[(2-aminophenyl)methyl]-3-ethoxy-N-ethylpropanamide?
The IUPAC name of N-[(2-aminophenyl)methyl]-3-ethoxy-N-ethylpropanamide (CID 62589527) is N-[(2-aminophenyl)methyl]-3-ethoxy-N-ethylpropanamide.
What is the SMILES notation for N-[(2-aminophenyl)methyl]-3-ethoxy-N-ethylpropanamide?
The canonical SMILES for N-[(2-aminophenyl)methyl]-3-ethoxy-N-ethylpropanamide is CCOCCC(=O)N(CC)Cc1ccccc1N.
What is the InChIKey of N-[(2-aminophenyl)methyl]-3-ethoxy-N-ethylpropanamide?
The InChIKey is ZYAFEOLMNCQHQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-3-16(14(17)9-10-18-4-2)11-12-7-5-6-8-13(12)15/h5-8H,3-4,9-11,15H2,1-2H3.
What are the key properties of N-[(2-aminophenyl)methyl]-3-ethoxy-N-ethylpropanamide?
N-[(2-aminophenyl)methyl]-3-ethoxy-N-ethylpropanamide has a molecular weight of 250.34 g/mol, XLogP of 2.04, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-aminophenyl)methyl]-3-ethoxy-N-ethylpropanamide is sourced from PubChem (CID 62589527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).