N-(3-aminophenyl)-2-(N-ethylanilino)acetamide

C16H19N3O — CID 16790236

IUPACN-(3-aminophenyl)-2-(N-ethylanilino)acetamide
SMILESCCN(CC(=O)Nc1cccc(N)c1)c1ccccc1
InChIInChI=1S/C16H19N3O/c1-2-19(15-9-4-3-5-10-15)12-16(20)18-14-8-6-7-13(17)11-14/h3-11H,2,12,17H2,1H3,(H,18,20)
InChIKeyZEMSUQFTGYUDDZ-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.73
Rot. Bonds5

About N-(3-aminophenyl)-2-(N-ethylanilino)acetamide

N-(3-aminophenyl)-2-(N-ethylanilino)acetamide (PubChem CID 16790236) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is N-(3-aminophenyl)-2-(N-ethylanilino)acetamide.

Molecular Properties

Compound NameN-(3-aminophenyl)-2-(N-ethylanilino)acetamide
PubChem CID16790236
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC NameN-(3-aminophenyl)-2-(N-ethylanilino)acetamide
SMILESCCN(CC(=O)Nc1cccc(N)c1)c1ccccc1
InChIInChI=1S/C16H19N3O/c1-2-19(15-9-4-3-5-10-15)12-16(20)18-14-8-6-7-13(17)11-14/h3-11H,2,12,17H2,1H3,(H,18,20)
InChIKeyZEMSUQFTGYUDDZ-UHFFFAOYSA-N
XLogP2.73
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(N-ethylanilino)-N-(3-phenylphenyl)acetamide
CID 13221983
N-(3-aminophenyl)-2-(N-methylanilino)acetamide
CID 16779401
2-(3-amino-N-ethylanilino)-N-(3-chlorophenyl)acetamide
CID 63229764
2-(3-amino-N-ethylanilino)-N-(4-methylphenyl)acetamide
CID 63229853
2-(4-amino-N-ethylanilino)-N-(3-methylphenyl)acetamide
CID 63233755
2-(N-ethylanilino)-N-(3-methoxyphenyl)acetamide
CID 51159812
2-(N-ethylanilino)ethyl N-(3-aminophenyl)carbamate
CID 154358903
N-(4-aminophenyl)-2-(N-ethyl-3-hydroxyanilino)acetamide
CID 107733928
N-(3,4-dichlorophenyl)-2-(N-ethylanilino)acetamide
CID 54808800
2-(3-amino-N-ethylanilino)-N-(2-methylphenyl)acetamide
CID 63229896
N-(3-aminophenyl)-3-(N-methylanilino)propanamide
CID 16778596
3-[[2-(3-aminoanilino)-2-oxoethyl]-methylamino]propanoic acid
CID 82224717

Frequently Asked Questions

What is the IUPAC name of N-(3-aminophenyl)-2-(N-ethylanilino)acetamide?
The IUPAC name of N-(3-aminophenyl)-2-(N-ethylanilino)acetamide (CID 16790236) is N-(3-aminophenyl)-2-(N-ethylanilino)acetamide.
What is the SMILES notation for N-(3-aminophenyl)-2-(N-ethylanilino)acetamide?
The canonical SMILES for N-(3-aminophenyl)-2-(N-ethylanilino)acetamide is CCN(CC(=O)Nc1cccc(N)c1)c1ccccc1.
What is the InChIKey of N-(3-aminophenyl)-2-(N-ethylanilino)acetamide?
The InChIKey is ZEMSUQFTGYUDDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-2-19(15-9-4-3-5-10-15)12-16(20)18-14-8-6-7-13(17)11-14/h3-11H,2,12,17H2,1H3,(H,18,20).
What are the key properties of N-(3-aminophenyl)-2-(N-ethylanilino)acetamide?
N-(3-aminophenyl)-2-(N-ethylanilino)acetamide has a molecular weight of 269.35 g/mol, XLogP of 2.73, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminophenyl)-2-(N-ethylanilino)acetamide is sourced from PubChem (CID 16790236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).