2-amino-N-[2-(2,4-dimethyl-5-nitroanilino)-2-oxoethyl]acetamide

C12H16N4O4 — CID 104757722

IUPAC2-amino-N-[2-(2,4-dimethyl-5-nitroanilino)-2-oxoethyl]acetamide
SMILESCc1cc(C)c([N+](=O)[O-])cc1NC(=O)CNC(=O)CN
InChIInChI=1S/C12H16N4O4/c1-7-3-8(2)10(16(19)20)4-9(7)15-12(18)6-14-11(17)5-13/h3-4H,5-6,13H2,1-2H3,(H,14,17)(H,15,18)
InChIKeyVGYMSXVWHIZAAP-UHFFFAOYSA-N
MW280.28 g/mol
LogP0.23
Rot. Bonds5

About 2-amino-N-[2-(2,4-dimethyl-5-nitroanilino)-2-oxoethyl]acetamide

2-amino-N-[2-(2,4-dimethyl-5-nitroanilino)-2-oxoethyl]acetamide (PubChem CID 104757722) has the molecular formula C12H16N4O4 and a molecular weight of 280.28 g/mol. Its IUPAC name is 2-amino-N-[2-(2,4-dimethyl-5-nitroanilino)-2-oxoethyl]acetamide.

Molecular Properties

Compound Name2-amino-N-[2-(2,4-dimethyl-5-nitroanilino)-2-oxoethyl]acetamide
PubChem CID104757722
Molecular FormulaC12H16N4O4
Molecular Weight280.28 g/mol
Exact Mass280.12
IUPAC Name2-amino-N-[2-(2,4-dimethyl-5-nitroanilino)-2-oxoethyl]acetamide
SMILESCc1cc(C)c([N+](=O)[O-])cc1NC(=O)CNC(=O)CN
InChIInChI=1S/C12H16N4O4/c1-7-3-8(2)10(16(19)20)4-9(7)15-12(18)6-14-11(17)5-13/h3-4H,5-6,13H2,1-2H3,(H,14,17)(H,15,18)
InChIKeyVGYMSXVWHIZAAP-UHFFFAOYSA-N
XLogP0.23
TPSA127.36 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 50.23
H-Bond Donors ≤ 53
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-(tert-butylamino)-N-(2,4-dimethyl-5-nitrophenyl)acetamide
CID 115572266
5-amino-N-(2,4-dimethyl-5-nitrophenyl)-4-methylpentanamide
CID 104757782
3-amino-N-(2,4-dimethyl-5-nitrophenyl)butanamide
CID 113449732
2-(2-aminoethoxy)-N-(2,4-dimethyl-5-nitrophenyl)acetamide
CID 104757812
2-(cyclopropylamino)-N-(2,4-dimethyl-5-nitrophenyl)acetamide
CID 115572270
5-bromo-N-(2,4-dimethyl-5-nitrophenyl)pentanamide
CID 103601694
1-(2,4-dimethyl-5-nitrophenyl)-3-prop-2-enylurea
CID 75508665
2-amino-N-[2-(2-hydroxy-6-nitroanilino)-2-oxoethyl]acetamide
CID 107681048
5-(aminomethyl)-N-(2,4-dimethyl-5-nitrophenyl)furan-2-carboxamide
CID 104757744
2-(cyclopentylamino)-N-(2,5-dimethyl-4-nitrophenyl)acetamide
CID 103145357
4-[[2-[(2-aminoacetyl)amino]acetyl]amino]-3-methylbenzoic acid
CID 60851394
(2S)-2-amino-N-(2,4-dimethyl-5-nitrophenyl)hexanamide
CID 107146529

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(2,4-dimethyl-5-nitroanilino)-2-oxoethyl]acetamide?
The IUPAC name of 2-amino-N-[2-(2,4-dimethyl-5-nitroanilino)-2-oxoethyl]acetamide (CID 104757722) is 2-amino-N-[2-(2,4-dimethyl-5-nitroanilino)-2-oxoethyl]acetamide.
What is the SMILES notation for 2-amino-N-[2-(2,4-dimethyl-5-nitroanilino)-2-oxoethyl]acetamide?
The canonical SMILES for 2-amino-N-[2-(2,4-dimethyl-5-nitroanilino)-2-oxoethyl]acetamide is Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)CNC(=O)CN.
What is the InChIKey of 2-amino-N-[2-(2,4-dimethyl-5-nitroanilino)-2-oxoethyl]acetamide?
The InChIKey is VGYMSXVWHIZAAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O4/c1-7-3-8(2)10(16(19)20)4-9(7)15-12(18)6-14-11(17)5-13/h3-4H,5-6,13H2,1-2H3,(H,14,17)(H,15,18).
What are the key properties of 2-amino-N-[2-(2,4-dimethyl-5-nitroanilino)-2-oxoethyl]acetamide?
2-amino-N-[2-(2,4-dimethyl-5-nitroanilino)-2-oxoethyl]acetamide has a molecular weight of 280.28 g/mol, XLogP of 0.23, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(2,4-dimethyl-5-nitroanilino)-2-oxoethyl]acetamide is sourced from PubChem (CID 104757722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).