N'-(2-amino-5-methylphenyl)-N-(2-methoxy-4-nitrophenyl)oxamide

C16H16N4O5 — CID 108513088

IUPACN'-(2-amino-5-methylphenyl)-N-(2-methoxy-4-nitrophenyl)oxamide
SMILESCOc1cc([N+](=O)[O-])ccc1NC(=O)C(=O)Nc1cc(C)ccc1N
InChIInChI=1S/C16H16N4O5/c1-9-3-5-11(17)13(7-9)19-16(22)15(21)18-12-6-4-10(20(23)24)8-14(12)25-2/h3-8H,17H2,1-2H3,(H,18,21)(H,19,22)
InChIKeyCDICRNZJHVJZFT-UHFFFAOYSA-N
MW344.33 g/mol
LogP2.07
Rot. Bonds4

About N'-(2-amino-5-methylphenyl)-N-(2-methoxy-4-nitrophenyl)oxamide

N'-(2-amino-5-methylphenyl)-N-(2-methoxy-4-nitrophenyl)oxamide (PubChem CID 108513088) has the molecular formula C16H16N4O5 and a molecular weight of 344.33 g/mol. Its IUPAC name is N'-(2-amino-5-methylphenyl)-N-(2-methoxy-4-nitrophenyl)oxamide.

Molecular Properties

Compound NameN'-(2-amino-5-methylphenyl)-N-(2-methoxy-4-nitrophenyl)oxamide
PubChem CID108513088
Molecular FormulaC16H16N4O5
Molecular Weight344.33 g/mol
Exact Mass344.11
IUPAC NameN'-(2-amino-5-methylphenyl)-N-(2-methoxy-4-nitrophenyl)oxamide
SMILESCOc1cc([N+](=O)[O-])ccc1NC(=O)C(=O)Nc1cc(C)ccc1N
InChIInChI=1S/C16H16N4O5/c1-9-3-5-11(17)13(7-9)19-16(22)15(21)18-12-6-4-10(20(23)24)8-14(12)25-2/h3-8H,17H2,1-2H3,(H,18,21)(H,19,22)
InChIKeyCDICRNZJHVJZFT-UHFFFAOYSA-N
XLogP2.07
TPSA136.59 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.33
LogP ≤ 52.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(2-amino-5-methylphenyl)-N'-(2-methoxy-5-nitrophenyl)oxamide
CID 108532452
N'-(3,5-dimethylphenyl)-N-(2-methoxy-4-nitrophenyl)oxamide
CID 108513035
N'-(2-methoxy-4-nitrophenyl)-N-[(4-methylphenyl)methyl]oxamide
CID 108512912
N'-(2-amino-5-methylphenyl)-N-(4-chloro-2,5-dimethoxyphenyl)oxamide
CID 108532284
N-(4-tert-butylphenyl)-N'-(2-methoxy-4-nitrophenyl)oxamide
CID 108513014
N'-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(2-methoxy-4-nitrophenyl)oxamide
CID 108513016
N-(2-amino-5-methylphenyl)-N'-(4-chloro-2-methoxy-5-methylphenyl)oxamide
CID 108532479
N'-butan-2-yl-N-(2-methoxy-4-nitrophenyl)oxamide
CID 108505403
2-methylpropyl N-(2-methoxy-4-nitrophenyl)carbamate
CID 18877565
[2-(2-methoxy-4-nitroanilino)-2-oxoethyl] 2-hydroxy-4-methylbenzoate
CID 7568568
2-(ethylamino)-N-(2-methoxy-4-nitrophenyl)acetamide
CID 60641116
2-(azepan-1-yl)-N-(2-methoxy-4-nitrophenyl)-2-oxoacetamide
CID 108512934

Frequently Asked Questions

What is the IUPAC name of N'-(2-amino-5-methylphenyl)-N-(2-methoxy-4-nitrophenyl)oxamide?
The IUPAC name of N'-(2-amino-5-methylphenyl)-N-(2-methoxy-4-nitrophenyl)oxamide (CID 108513088) is N'-(2-amino-5-methylphenyl)-N-(2-methoxy-4-nitrophenyl)oxamide.
What is the SMILES notation for N'-(2-amino-5-methylphenyl)-N-(2-methoxy-4-nitrophenyl)oxamide?
The canonical SMILES for N'-(2-amino-5-methylphenyl)-N-(2-methoxy-4-nitrophenyl)oxamide is COc1cc([N+](=O)[O-])ccc1NC(=O)C(=O)Nc1cc(C)ccc1N.
What is the InChIKey of N'-(2-amino-5-methylphenyl)-N-(2-methoxy-4-nitrophenyl)oxamide?
The InChIKey is CDICRNZJHVJZFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O5/c1-9-3-5-11(17)13(7-9)19-16(22)15(21)18-12-6-4-10(20(23)24)8-14(12)25-2/h3-8H,17H2,1-2H3,(H,18,21)(H,19,22).
What are the key properties of N'-(2-amino-5-methylphenyl)-N-(2-methoxy-4-nitrophenyl)oxamide?
N'-(2-amino-5-methylphenyl)-N-(2-methoxy-4-nitrophenyl)oxamide has a molecular weight of 344.33 g/mol, XLogP of 2.07, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-amino-5-methylphenyl)-N-(2-methoxy-4-nitrophenyl)oxamide is sourced from PubChem (CID 108513088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).