N-ethyl-N-methyl-2-[1-(4-methyl-3-nitrophenyl)ethylamino]acetamide

C14H21N3O3 — CID 103915670

IUPACN-ethyl-N-methyl-2-[1-(4-methyl-3-nitrophenyl)ethylamino]acetamide
SMILESCCN(C)C(=O)CNC(C)c1ccc(C)c([N+](=O)[O-])c1
InChIInChI=1S/C14H21N3O3/c1-5-16(4)14(18)9-15-11(3)12-7-6-10(2)13(8-12)17(19)20/h6-8,11,15H,5,9H2,1-4H3
InChIKeyPPATYOQEEXSWSQ-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.03
Rot. Bonds6

About N-ethyl-N-methyl-2-[1-(4-methyl-3-nitrophenyl)ethylamino]acetamide

N-ethyl-N-methyl-2-[1-(4-methyl-3-nitrophenyl)ethylamino]acetamide (PubChem CID 103915670) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is N-ethyl-N-methyl-2-[1-(4-methyl-3-nitrophenyl)ethylamino]acetamide.

Molecular Properties

Compound NameN-ethyl-N-methyl-2-[1-(4-methyl-3-nitrophenyl)ethylamino]acetamide
PubChem CID103915670
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC NameN-ethyl-N-methyl-2-[1-(4-methyl-3-nitrophenyl)ethylamino]acetamide
SMILESCCN(C)C(=O)CNC(C)c1ccc(C)c([N+](=O)[O-])c1
InChIInChI=1S/C14H21N3O3/c1-5-16(4)14(18)9-15-11(3)12-7-6-10(2)13(8-12)17(19)20/h6-8,11,15H,5,9H2,1-4H3
InChIKeyPPATYOQEEXSWSQ-UHFFFAOYSA-N
XLogP2.03
TPSA75.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-ethyl-N-methyl-2-[1-(4-methyl-3-nitrophenyl)ethylamino]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

2-[1-(3,4-dimethylphenyl)ethylamino]-N-ethyl-N-methylacetamide
CID 113350546
2-[1-(4-methyl-3-nitrophenyl)ethylamino]acetamide
CID 43200358
methyl 2-[1-(4-methyl-3-nitrophenyl)ethylamino]acetate
CID 43200789
1,1-dimethyl-3-[2-[1-(4-methyl-3-nitrophenyl)ethylamino]ethyl]urea
CID 83107937
N-ethyl-N-methyl-2-(4-methyl-3-nitroanilino)acetamide
CID 114133940
N-ethyl-N-methyl-2-[1-(2-nitrophenyl)ethylamino]acetamide
CID 103916425
2-[1-(4-methyl-3-nitrophenyl)ethylamino]acetonitrile
CID 84598222
2-[1-(4-methyl-3-nitrophenyl)ethylamino]ethyl carbamate
CID 83209828
2,2-dimethyl-3-[1-(4-methyl-3-nitrophenyl)ethylamino]propan-1-ol
CID 115359124
N-ethyl-2-[1-(4-ethylphenyl)ethylamino]-N-methylacetamide
CID 60759691
2-[[(1S)-1-(4-bromophenyl)ethyl]amino]-N-ethyl-N-methylacetamide
CID 81360039
N-[1-(4-methyl-3-nitrophenyl)ethyl]butan-2-amine
CID 43200679

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-methyl-2-[1-(4-methyl-3-nitrophenyl)ethylamino]acetamide?
The IUPAC name of N-ethyl-N-methyl-2-[1-(4-methyl-3-nitrophenyl)ethylamino]acetamide (CID 103915670) is N-ethyl-N-methyl-2-[1-(4-methyl-3-nitrophenyl)ethylamino]acetamide.
What is the SMILES notation for N-ethyl-N-methyl-2-[1-(4-methyl-3-nitrophenyl)ethylamino]acetamide?
The canonical SMILES for N-ethyl-N-methyl-2-[1-(4-methyl-3-nitrophenyl)ethylamino]acetamide is CCN(C)C(=O)CNC(C)c1ccc(C)c([N+](=O)[O-])c1.
What is the InChIKey of N-ethyl-N-methyl-2-[1-(4-methyl-3-nitrophenyl)ethylamino]acetamide?
The InChIKey is PPATYOQEEXSWSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-5-16(4)14(18)9-15-11(3)12-7-6-10(2)13(8-12)17(19)20/h6-8,11,15H,5,9H2,1-4H3.
What are the key properties of N-ethyl-N-methyl-2-[1-(4-methyl-3-nitrophenyl)ethylamino]acetamide?
N-ethyl-N-methyl-2-[1-(4-methyl-3-nitrophenyl)ethylamino]acetamide has a molecular weight of 279.34 g/mol, XLogP of 2.03, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-methyl-2-[1-(4-methyl-3-nitrophenyl)ethylamino]acetamide is sourced from PubChem (CID 103915670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).