3-(4-aminophenyl)-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]propanamide

C15H23N3O2 — CID 61107025

IUPAC3-(4-aminophenyl)-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]propanamide
SMILESCCNC(=O)CN(CC)C(=O)CCc1ccc(N)cc1
InChIInChI=1S/C15H23N3O2/c1-3-17-14(19)11-18(4-2)15(20)10-7-12-5-8-13(16)9-6-12/h5-6,8-9H,3-4,7,10-11,16H2,1-2H3,(H,17,19)
InChIKeyDGBKEZQCQXMZOB-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.19
Rot. Bonds7

About 3-(4-aminophenyl)-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]propanamide

3-(4-aminophenyl)-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]propanamide (PubChem CID 61107025) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 3-(4-aminophenyl)-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]propanamide.

Molecular Properties

Compound Name3-(4-aminophenyl)-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]propanamide
PubChem CID61107025
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name3-(4-aminophenyl)-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]propanamide
SMILESCCNC(=O)CN(CC)C(=O)CCc1ccc(N)cc1
InChIInChI=1S/C15H23N3O2/c1-3-17-14(19)11-18(4-2)15(20)10-7-12-5-8-13(16)9-6-12/h5-6,8-9H,3-4,7,10-11,16H2,1-2H3,(H,17,19)
InChIKeyDGBKEZQCQXMZOB-UHFFFAOYSA-N
XLogP1.19
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 3-(4-aminophenyl)-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]propanamide 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-aminophenyl)-N-ethyl-N-[2-(methylamino)-2-oxoethyl]propanamide
CID 61037410
3-(4-aminophenyl)-N-methyl-N-[2-oxo-2-(propylamino)ethyl]propanamide
CID 61115612
3-amino-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]propanamide
CID 60937942
N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-3-(3,4,5-trimethoxyphenyl)propanamide
CID 55370350
N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-N-ethyl-3-phenylpropanamide
CID 2450018
2-(4-aminophenyl)-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]acetamide
CID 119680664
3-(3-aminophenoxy)-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]propanamide
CID 61105154
2,4-diamino-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]benzamide
CID 61107401
4-[3-(4-aminophenyl)propanoylamino]-N-ethylbenzamide
CID 54795405
3-[4-(dimethylamino)phenyl]-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]propanamide
CID 24555346
7-amino-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]heptanamide
CID 54878536
3,5-diamino-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]benzamide
CID 61107585

Frequently Asked Questions

What is the IUPAC name of 3-(4-aminophenyl)-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]propanamide?
The IUPAC name of 3-(4-aminophenyl)-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]propanamide (CID 61107025) is 3-(4-aminophenyl)-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]propanamide.
What is the SMILES notation for 3-(4-aminophenyl)-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]propanamide?
The canonical SMILES for 3-(4-aminophenyl)-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]propanamide is CCNC(=O)CN(CC)C(=O)CCc1ccc(N)cc1.
What is the InChIKey of 3-(4-aminophenyl)-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]propanamide?
The InChIKey is DGBKEZQCQXMZOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-3-17-14(19)11-18(4-2)15(20)10-7-12-5-8-13(16)9-6-12/h5-6,8-9H,3-4,7,10-11,16H2,1-2H3,(H,17,19).
What are the key properties of 3-(4-aminophenyl)-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]propanamide?
3-(4-aminophenyl)-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]propanamide has a molecular weight of 277.37 g/mol, XLogP of 1.19, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-aminophenyl)-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]propanamide is sourced from PubChem (CID 61107025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).