N-[3-(N-ethylanilino)propyl]-2-(2-nitrophenyl)acetamide

C19H23N3O3 — CID 41278296

IUPACN-[3-(N-ethylanilino)propyl]-2-(2-nitrophenyl)acetamide
SMILESCCN(CCCNC(=O)Cc1ccccc1[N+](=O)[O-])c1ccccc1
InChIInChI=1S/C19H23N3O3/c1-2-21(17-10-4-3-5-11-17)14-8-13-20-19(23)15-16-9-6-7-12-18(16)22(24)25/h3-7,9-12H,2,8,13-15H2,1H3,(H,20,23)
InChIKeyGOYDVQBYYWPSQD-UHFFFAOYSA-N
MW341.41 g/mol
LogP3.17
Rot. Bonds9

About N-[3-(N-ethylanilino)propyl]-2-(2-nitrophenyl)acetamide

N-[3-(N-ethylanilino)propyl]-2-(2-nitrophenyl)acetamide (PubChem CID 41278296) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is N-[3-(N-ethylanilino)propyl]-2-(2-nitrophenyl)acetamide.

Molecular Properties

Compound NameN-[3-(N-ethylanilino)propyl]-2-(2-nitrophenyl)acetamide
PubChem CID41278296
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC NameN-[3-(N-ethylanilino)propyl]-2-(2-nitrophenyl)acetamide
SMILESCCN(CCCNC(=O)Cc1ccccc1[N+](=O)[O-])c1ccccc1
InChIInChI=1S/C19H23N3O3/c1-2-21(17-10-4-3-5-11-17)14-8-13-20-19(23)15-16-9-6-7-12-18(16)22(24)25/h3-7,9-12H,2,8,13-15H2,1H3,(H,20,23)
InChIKeyGOYDVQBYYWPSQD-UHFFFAOYSA-N
XLogP3.17
TPSA75.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[3-(N-ethylanilino)propyl]-2-(2-nitrophenyl)acetamide 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-[3-(dimethylamino)propyl]-2-(2-nitrophenyl)acetamide
CID 3387628
N-hexyl-2-(2-nitrophenyl)acetamide
CID 3386287
(E)-N-[3-(N-ethylanilino)propyl]-3-(2-nitrophenyl)prop-2-enamide
CID 24654889
N-[3-(ethylamino)propyl]-2-(2-nitrophenyl)acetamide
CID 43601616
N-ethyl-N-[2-(2-nitrophenyl)ethyl]aniline;hydrochloride
CID 70525444
N-(3-ethoxypropyl)-2-(2-nitrophenyl)acetamide
CID 2179209
N-[2-[3-(N-ethylanilino)propylamino]-2-oxoethyl]benzamide
CID 41278360
2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-[3-(N-ethylanilino)propyl]acetamide
CID 17405209
3-(ethylamino)-N-[3-(N-ethylanilino)propyl]propanamide
CID 62834234
N-(2-benzylsulfanylethyl)-2-(2-nitrophenyl)acetamide
CID 4016425
methyl N-[3-(N-ethylanilino)propyl]carbamate
CID 22765561
N-[3-(N-ethylanilino)propyl]-2-(3-methoxyphenyl)acetamide
CID 18118732

Frequently Asked Questions

What is the IUPAC name of N-[3-(N-ethylanilino)propyl]-2-(2-nitrophenyl)acetamide?
The IUPAC name of N-[3-(N-ethylanilino)propyl]-2-(2-nitrophenyl)acetamide (CID 41278296) is N-[3-(N-ethylanilino)propyl]-2-(2-nitrophenyl)acetamide.
What is the SMILES notation for N-[3-(N-ethylanilino)propyl]-2-(2-nitrophenyl)acetamide?
The canonical SMILES for N-[3-(N-ethylanilino)propyl]-2-(2-nitrophenyl)acetamide is CCN(CCCNC(=O)Cc1ccccc1[N+](=O)[O-])c1ccccc1.
What is the InChIKey of N-[3-(N-ethylanilino)propyl]-2-(2-nitrophenyl)acetamide?
The InChIKey is GOYDVQBYYWPSQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-2-21(17-10-4-3-5-11-17)14-8-13-20-19(23)15-16-9-6-7-12-18(16)22(24)25/h3-7,9-12H,2,8,13-15H2,1H3,(H,20,23).
What are the key properties of N-[3-(N-ethylanilino)propyl]-2-(2-nitrophenyl)acetamide?
N-[3-(N-ethylanilino)propyl]-2-(2-nitrophenyl)acetamide has a molecular weight of 341.41 g/mol, XLogP of 3.17, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(N-ethylanilino)propyl]-2-(2-nitrophenyl)acetamide is sourced from PubChem (CID 41278296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).