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

C14H21N3O2 — CID 61037410

IUPAC3-(4-aminophenyl)-N-ethyl-N-[2-(methylamino)-2-oxoethyl]propanamide
SMILESCCN(CC(=O)NC)C(=O)CCc1ccc(N)cc1
InChIInChI=1S/C14H21N3O2/c1-3-17(10-13(18)16-2)14(19)9-6-11-4-7-12(15)8-5-11/h4-5,7-8H,3,6,9-10,15H2,1-2H3,(H,16,18)
InChIKeyDEPMJQZXYGNBLR-UHFFFAOYSA-N
MW263.34 g/mol
LogP0.80
Rot. Bonds6

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

3-(4-aminophenyl)-N-ethyl-N-[2-(methylamino)-2-oxoethyl]propanamide (PubChem CID 61037410) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 3-(4-aminophenyl)-N-ethyl-N-[2-(methylamino)-2-oxoethyl]propanamide.

Molecular Properties

Compound Name3-(4-aminophenyl)-N-ethyl-N-[2-(methylamino)-2-oxoethyl]propanamide
PubChem CID61037410
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name3-(4-aminophenyl)-N-ethyl-N-[2-(methylamino)-2-oxoethyl]propanamide
SMILESCCN(CC(=O)NC)C(=O)CCc1ccc(N)cc1
InChIInChI=1S/C14H21N3O2/c1-3-17(10-13(18)16-2)14(19)9-6-11-4-7-12(15)8-5-11/h4-5,7-8H,3,6,9-10,15H2,1-2H3,(H,16,18)
InChIKeyDEPMJQZXYGNBLR-UHFFFAOYSA-N
XLogP0.80
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 50.80
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'}

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Related Compounds

3-(4-aminophenyl)-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]propanamide
CID 61107025
2-[2-(4-aminophenyl)ethyl-ethylamino]-N-methylacetamide
CID 43574920
2-(4-amino-N-ethylanilino)-N-methylacetamide
CID 43577916
4-amino-N-ethyl-N-[2-(methylamino)-2-oxoethyl]butanamide
CID 43579108
3-[4-(dimethylamino)phenyl]-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]propanamide
CID 24555346
3-(4-aminophenyl)-N-methyl-N-[2-oxo-2-(propylamino)ethyl]propanamide
CID 61115612
2-amino-N-ethyl-N-[2-(methylamino)-2-oxoethyl]acetamide
CID 43579092
2,4-diamino-N-ethyl-N-[2-(methylamino)-2-oxoethyl]benzamide
CID 61093678
N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-N-ethyl-3-phenylpropanamide
CID 2450018
3-(4-aminophenyl)-N-[2-(dimethylamino)ethyl]-N-methylpropanamide
CID 55258212
5-amino-N-ethyl-N-[2-(methylamino)-2-oxoethyl]-1-benzofuran-2-carboxamide
CID 61094259
ethyl 2-[ethyl-[3-(4-methoxyphenyl)propanoyl]amino]acetate
CID 61022615

Frequently Asked Questions

What is the IUPAC name of 3-(4-aminophenyl)-N-ethyl-N-[2-(methylamino)-2-oxoethyl]propanamide?
The IUPAC name of 3-(4-aminophenyl)-N-ethyl-N-[2-(methylamino)-2-oxoethyl]propanamide (CID 61037410) is 3-(4-aminophenyl)-N-ethyl-N-[2-(methylamino)-2-oxoethyl]propanamide.
What is the SMILES notation for 3-(4-aminophenyl)-N-ethyl-N-[2-(methylamino)-2-oxoethyl]propanamide?
The canonical SMILES for 3-(4-aminophenyl)-N-ethyl-N-[2-(methylamino)-2-oxoethyl]propanamide is CCN(CC(=O)NC)C(=O)CCc1ccc(N)cc1.
What is the InChIKey of 3-(4-aminophenyl)-N-ethyl-N-[2-(methylamino)-2-oxoethyl]propanamide?
The InChIKey is DEPMJQZXYGNBLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-3-17(10-13(18)16-2)14(19)9-6-11-4-7-12(15)8-5-11/h4-5,7-8H,3,6,9-10,15H2,1-2H3,(H,16,18).
What are the key properties of 3-(4-aminophenyl)-N-ethyl-N-[2-(methylamino)-2-oxoethyl]propanamide?
3-(4-aminophenyl)-N-ethyl-N-[2-(methylamino)-2-oxoethyl]propanamide has a molecular weight of 263.34 g/mol, XLogP of 0.80, 6 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-(methylamino)-2-oxoethyl]propanamide is sourced from PubChem (CID 61037410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).