2-(2-methyl-3-nitroanilino)-N-(3,4,5-trimethoxyphenyl)acetamide

C18H21N3O6 — CID 26525399

IUPAC2-(2-methyl-3-nitroanilino)-N-(3,4,5-trimethoxyphenyl)acetamide
SMILESCOc1cc(NC(=O)CNc2cccc([N+](=O)[O-])c2C)cc(OC)c1OC
InChIInChI=1S/C18H21N3O6/c1-11-13(6-5-7-14(11)21(23)24)19-10-17(22)20-12-8-15(25-2)18(27-4)16(9-12)26-3/h5-9,19H,10H2,1-4H3,(H,20,22)
InChIKeyPYUDNIOYJKYAFT-UHFFFAOYSA-N
MW375.38 g/mol
LogP2.98
Rot. Bonds8

About 2-(2-methyl-3-nitroanilino)-N-(3,4,5-trimethoxyphenyl)acetamide

2-(2-methyl-3-nitroanilino)-N-(3,4,5-trimethoxyphenyl)acetamide (PubChem CID 26525399) has the molecular formula C18H21N3O6 and a molecular weight of 375.38 g/mol. Its IUPAC name is 2-(2-methyl-3-nitroanilino)-N-(3,4,5-trimethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(2-methyl-3-nitroanilino)-N-(3,4,5-trimethoxyphenyl)acetamide
PubChem CID26525399
Molecular FormulaC18H21N3O6
Molecular Weight375.38 g/mol
Exact Mass375.14
IUPAC Name2-(2-methyl-3-nitroanilino)-N-(3,4,5-trimethoxyphenyl)acetamide
SMILESCOc1cc(NC(=O)CNc2cccc([N+](=O)[O-])c2C)cc(OC)c1OC
InChIInChI=1S/C18H21N3O6/c1-11-13(6-5-7-14(11)21(23)24)19-10-17(22)20-12-8-15(25-2)18(27-4)16(9-12)26-3/h5-9,19H,10H2,1-4H3,(H,20,22)
InChIKeyPYUDNIOYJKYAFT-UHFFFAOYSA-N
XLogP2.98
TPSA111.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.38
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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-methoxy-5-nitroanilino)-N-(2-methyl-3-nitrophenyl)acetamide
CID 26415999
N-(3-bromophenyl)-2-(2-methyl-3-nitroanilino)acetamide
CID 9102349
2-(3-acetamido-2-methylanilino)-N-(2-methyl-3-nitrophenyl)acetamide
CID 34067918
4-[[2-(2-methyl-3-nitroanilino)acetyl]amino]benzamide
CID 37479645
methyl 4-methyl-3-[[2-(2-methyl-3-nitroanilino)acetyl]amino]benzoate
CID 26525465
N-[4-(difluoromethoxy)phenyl]-2-(2-methyl-3-nitroanilino)acetamide
CID 9102534
3,4,5-trimethoxy-N-[(2-methyl-3-nitrophenyl)carbamothioyl]benzamide
CID 5172590
2-(2,6-dimethylanilino)-N-(3,4,5-trimethoxyphenyl)acetamide
CID 51253107
2-(2-methoxy-5-methylanilino)-N-(3,4,5-trimethoxyphenyl)acetamide
CID 26508692
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

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-3-nitroanilino)-N-(3,4,5-trimethoxyphenyl)acetamide?
The IUPAC name of 2-(2-methyl-3-nitroanilino)-N-(3,4,5-trimethoxyphenyl)acetamide (CID 26525399) is 2-(2-methyl-3-nitroanilino)-N-(3,4,5-trimethoxyphenyl)acetamide.
What is the SMILES notation for 2-(2-methyl-3-nitroanilino)-N-(3,4,5-trimethoxyphenyl)acetamide?
The canonical SMILES for 2-(2-methyl-3-nitroanilino)-N-(3,4,5-trimethoxyphenyl)acetamide is COc1cc(NC(=O)CNc2cccc([N+](=O)[O-])c2C)cc(OC)c1OC.
What is the InChIKey of 2-(2-methyl-3-nitroanilino)-N-(3,4,5-trimethoxyphenyl)acetamide?
The InChIKey is PYUDNIOYJKYAFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O6/c1-11-13(6-5-7-14(11)21(23)24)19-10-17(22)20-12-8-15(25-2)18(27-4)16(9-12)26-3/h5-9,19H,10H2,1-4H3,(H,20,22).
What are the key properties of 2-(2-methyl-3-nitroanilino)-N-(3,4,5-trimethoxyphenyl)acetamide?
2-(2-methyl-3-nitroanilino)-N-(3,4,5-trimethoxyphenyl)acetamide has a molecular weight of 375.38 g/mol, XLogP of 2.98, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-3-nitroanilino)-N-(3,4,5-trimethoxyphenyl)acetamide is sourced from PubChem (CID 26525399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).