2-[[2-(N-methyl-4-nitroanilino)-2-oxoethyl]-propylamino]-N-(2-methylphenyl)acetamide

C21H26N4O4 — CID 38177725

IUPAC2-[[2-(N-methyl-4-nitroanilino)-2-oxoethyl]-propylamino]-N-(2-methylphenyl)acetamide
SMILESCCCN(CC(=O)Nc1ccccc1C)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C21H26N4O4/c1-4-13-24(14-20(26)22-19-8-6-5-7-16(19)2)15-21(27)23(3)17-9-11-18(12-10-17)25(28)29/h5-12H,4,13-15H2,1-3H3,(H,22,26)
InChIKeyNHVJBVSYUSOWHR-UHFFFAOYSA-N
MW398.46 g/mol
LogP3.22
Rot. Bonds9

About 2-[[2-(N-methyl-4-nitroanilino)-2-oxoethyl]-propylamino]-N-(2-methylphenyl)acetamide

2-[[2-(N-methyl-4-nitroanilino)-2-oxoethyl]-propylamino]-N-(2-methylphenyl)acetamide (PubChem CID 38177725) has the molecular formula C21H26N4O4 and a molecular weight of 398.46 g/mol. Its IUPAC name is 2-[[2-(N-methyl-4-nitroanilino)-2-oxoethyl]-propylamino]-N-(2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[[2-(N-methyl-4-nitroanilino)-2-oxoethyl]-propylamino]-N-(2-methylphenyl)acetamide
PubChem CID38177725
Molecular FormulaC21H26N4O4
Molecular Weight398.46 g/mol
Exact Mass398.20
IUPAC Name2-[[2-(N-methyl-4-nitroanilino)-2-oxoethyl]-propylamino]-N-(2-methylphenyl)acetamide
SMILESCCCN(CC(=O)Nc1ccccc1C)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C21H26N4O4/c1-4-13-24(14-20(26)22-19-8-6-5-7-16(19)2)15-21(27)23(3)17-9-11-18(12-10-17)25(28)29/h5-12H,4,13-15H2,1-3H3,(H,22,26)
InChIKeyNHVJBVSYUSOWHR-UHFFFAOYSA-N
XLogP3.22
TPSA95.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.46
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]-N-phenylacetamide
CID 9038815
(E)-N-[2-(2-methylanilino)-2-oxoethyl]-3-(4-nitrophenyl)-N-propylprop-2-enamide
CID 31974336
N-(4-methoxy-2-nitrophenyl)-2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]acetamide
CID 27221763
2-[[2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl]-propylamino]-N-(2-methylphenyl)acetamide
CID 78816919
2-[[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl]-propylamino]-N-(2-methylphenyl)acetamide
CID 9038323
2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]-N-prop-2-ynylacetamide
CID 8810170
2-[[2-(2-nitroanilino)-2-oxoethyl]-propylamino]acetic acid
CID 61008367
N-(2-methylphenyl)-3-(4-nitrophenoxy)propanamide
CID 38770498
N-(4-chlorophenyl)-2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]acetamide
CID 9038956
N-(2,4-dichlorophenyl)-2-[[2-(N-methylanilino)-2-oxoethyl]-propylamino]acetamide
CID 26599527
ethyl 3-[[2-(2-methylanilino)-2-oxoethyl]-propylcarbamoyl]-5-nitrobenzoate
CID 38681937
2-[[2-(2-chloro-4-nitrophenoxy)acetyl]-propylamino]-N-(2-methylphenyl)acetamide
CID 2561598

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(N-methyl-4-nitroanilino)-2-oxoethyl]-propylamino]-N-(2-methylphenyl)acetamide?
The IUPAC name of 2-[[2-(N-methyl-4-nitroanilino)-2-oxoethyl]-propylamino]-N-(2-methylphenyl)acetamide (CID 38177725) is 2-[[2-(N-methyl-4-nitroanilino)-2-oxoethyl]-propylamino]-N-(2-methylphenyl)acetamide.
What is the SMILES notation for 2-[[2-(N-methyl-4-nitroanilino)-2-oxoethyl]-propylamino]-N-(2-methylphenyl)acetamide?
The canonical SMILES for 2-[[2-(N-methyl-4-nitroanilino)-2-oxoethyl]-propylamino]-N-(2-methylphenyl)acetamide is CCCN(CC(=O)Nc1ccccc1C)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 2-[[2-(N-methyl-4-nitroanilino)-2-oxoethyl]-propylamino]-N-(2-methylphenyl)acetamide?
The InChIKey is NHVJBVSYUSOWHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O4/c1-4-13-24(14-20(26)22-19-8-6-5-7-16(19)2)15-21(27)23(3)17-9-11-18(12-10-17)25(28)29/h5-12H,4,13-15H2,1-3H3,(H,22,26).
What are the key properties of 2-[[2-(N-methyl-4-nitroanilino)-2-oxoethyl]-propylamino]-N-(2-methylphenyl)acetamide?
2-[[2-(N-methyl-4-nitroanilino)-2-oxoethyl]-propylamino]-N-(2-methylphenyl)acetamide has a molecular weight of 398.46 g/mol, XLogP of 3.22, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(N-methyl-4-nitroanilino)-2-oxoethyl]-propylamino]-N-(2-methylphenyl)acetamide is sourced from PubChem (CID 38177725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).