2-(3-acetamido-2-methylanilino)-N-(2-methyl-3-nitrophenyl)acetamide

C18H20N4O4 — CID 34067918

IUPAC2-(3-acetamido-2-methylanilino)-N-(2-methyl-3-nitrophenyl)acetamide
SMILESCC(=O)Nc1cccc(NCC(=O)Nc2cccc([N+](=O)[O-])c2C)c1C
InChIInChI=1S/C18H20N4O4/c1-11-14(6-4-7-15(11)20-13(3)23)19-10-18(24)21-16-8-5-9-17(12(16)2)22(25)26/h4-9,19H,10H2,1-3H3,(H,20,23)(H,21,24)
InChIKeyNRHBCRAIKPMRPE-UHFFFAOYSA-N
MW356.38 g/mol
LogP3.22
Rot. Bonds6

About 2-(3-acetamido-2-methylanilino)-N-(2-methyl-3-nitrophenyl)acetamide

2-(3-acetamido-2-methylanilino)-N-(2-methyl-3-nitrophenyl)acetamide (PubChem CID 34067918) has the molecular formula C18H20N4O4 and a molecular weight of 356.38 g/mol. Its IUPAC name is 2-(3-acetamido-2-methylanilino)-N-(2-methyl-3-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-(3-acetamido-2-methylanilino)-N-(2-methyl-3-nitrophenyl)acetamide
PubChem CID34067918
Molecular FormulaC18H20N4O4
Molecular Weight356.38 g/mol
Exact Mass356.15
IUPAC Name2-(3-acetamido-2-methylanilino)-N-(2-methyl-3-nitrophenyl)acetamide
SMILESCC(=O)Nc1cccc(NCC(=O)Nc2cccc([N+](=O)[O-])c2C)c1C
InChIInChI=1S/C18H20N4O4/c1-11-14(6-4-7-15(11)20-13(3)23)19-10-18(24)21-16-8-5-9-17(12(16)2)22(25)26/h4-9,19H,10H2,1-3H3,(H,20,23)(H,21,24)
InChIKeyNRHBCRAIKPMRPE-UHFFFAOYSA-N
XLogP3.22
TPSA113.37 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 53.22
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

N-(2-ethylphenyl)-2-(2-methyl-3-nitroanilino)acetamide
CID 26525537
2-anilino-N-(2-methyl-3-nitrophenyl)acetamide
CID 60646897
2-(2,4-dimethylanilino)-N-(2-methyl-3-nitrophenyl)acetamide
CID 26416516
2-(4-chloro-2-methylanilino)-N-(2-methyl-3-nitrophenyl)acetamide
CID 26507122
2-(4-ethylanilino)-N-(2-methyl-3-nitrophenyl)acetamide
CID 51178521
N-(4-chloro-2-fluorophenyl)-2-(2-methyl-3-nitroanilino)acetamide
CID 9102471
4-[[2-(2-methyl-3-nitroanilino)acetyl]amino]benzamide
CID 37479645
N-(3-bromophenyl)-2-(2-methyl-3-nitroanilino)acetamide
CID 9102349
N-(3-acetamido-2-methylphenyl)-2-(2-nitrophenoxy)acetamide
CID 134019256
methyl 4-methyl-3-[[2-(2-methyl-3-nitroanilino)acetyl]amino]benzoate
CID 26525465
2-(2-methoxy-5-nitroanilino)-N-(2-methyl-3-nitrophenyl)acetamide
CID 26415999
4-methyl-N-(2-methyl-3-nitrophenyl)pentanamide
CID 4800327

Frequently Asked Questions

What is the IUPAC name of 2-(3-acetamido-2-methylanilino)-N-(2-methyl-3-nitrophenyl)acetamide?
The IUPAC name of 2-(3-acetamido-2-methylanilino)-N-(2-methyl-3-nitrophenyl)acetamide (CID 34067918) is 2-(3-acetamido-2-methylanilino)-N-(2-methyl-3-nitrophenyl)acetamide.
What is the SMILES notation for 2-(3-acetamido-2-methylanilino)-N-(2-methyl-3-nitrophenyl)acetamide?
The canonical SMILES for 2-(3-acetamido-2-methylanilino)-N-(2-methyl-3-nitrophenyl)acetamide is CC(=O)Nc1cccc(NCC(=O)Nc2cccc([N+](=O)[O-])c2C)c1C.
What is the InChIKey of 2-(3-acetamido-2-methylanilino)-N-(2-methyl-3-nitrophenyl)acetamide?
The InChIKey is NRHBCRAIKPMRPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O4/c1-11-14(6-4-7-15(11)20-13(3)23)19-10-18(24)21-16-8-5-9-17(12(16)2)22(25)26/h4-9,19H,10H2,1-3H3,(H,20,23)(H,21,24).
What are the key properties of 2-(3-acetamido-2-methylanilino)-N-(2-methyl-3-nitrophenyl)acetamide?
2-(3-acetamido-2-methylanilino)-N-(2-methyl-3-nitrophenyl)acetamide has a molecular weight of 356.38 g/mol, XLogP of 3.22, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-acetamido-2-methylanilino)-N-(2-methyl-3-nitrophenyl)acetamide is sourced from PubChem (CID 34067918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).