N-(3-acetylphenyl)-N'-(2-methoxy-5-nitrophenyl)oxamide

C17H15N3O6 — CID 108515064

IUPACN-(3-acetylphenyl)-N'-(2-methoxy-5-nitrophenyl)oxamide
SMILESCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)Nc1cccc(C(C)=O)c1
InChIInChI=1S/C17H15N3O6/c1-10(21)11-4-3-5-12(8-11)18-16(22)17(23)19-14-9-13(20(24)25)6-7-15(14)26-2/h3-9H,1-2H3,(H,18,22)(H,19,23)
InChIKeyMMIUPTPSIGNYCX-UHFFFAOYSA-N
MW357.32 g/mol
LogP2.38
Rot. Bonds5

About N-(3-acetylphenyl)-N'-(2-methoxy-5-nitrophenyl)oxamide

N-(3-acetylphenyl)-N'-(2-methoxy-5-nitrophenyl)oxamide (PubChem CID 108515064) has the molecular formula C17H15N3O6 and a molecular weight of 357.32 g/mol. Its IUPAC name is N-(3-acetylphenyl)-N'-(2-methoxy-5-nitrophenyl)oxamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-N'-(2-methoxy-5-nitrophenyl)oxamide
PubChem CID108515064
Molecular FormulaC17H15N3O6
Molecular Weight357.32 g/mol
Exact Mass357.10
IUPAC NameN-(3-acetylphenyl)-N'-(2-methoxy-5-nitrophenyl)oxamide
SMILESCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)Nc1cccc(C(C)=O)c1
InChIInChI=1S/C17H15N3O6/c1-10(21)11-4-3-5-12(8-11)18-16(22)17(23)19-14-9-13(20(24)25)6-7-15(14)26-2/h3-9H,1-2H3,(H,18,22)(H,19,23)
InChIKeyMMIUPTPSIGNYCX-UHFFFAOYSA-N
XLogP2.38
TPSA127.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.32
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'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

[(2S)-1-(2-methoxy-5-nitroanilino)-1-oxopropan-2-yl] 3-acetamidobenzoate
CID 2636175
(Z)-N-(3-acetylphenyl)-2-cyano-3-(2-methoxy-4-nitroanilino)prop-2-enamide
CID 108856691
(Z)-3-(3-acetylanilino)-2-cyano-N-(2-methoxy-4-nitrophenyl)prop-2-enamide
CID 108852599
N-[4-(diethylamino)phenyl]-N'-(2-methoxy-5-nitrophenyl)oxamide
CID 108530617
1-(3-formylphenyl)-3-(2-methoxy-5-nitrophenyl)urea
CID 90104893
N-(4-acetylphenyl)-N'-(3-nitrophenyl)oxamide
CID 108513258
3-(benzenesulfonamido)-N-(2-methoxy-5-nitrophenyl)benzamide
CID 19062366
N'-(2-chloro-5-nitrophenyl)-N-(3-methoxyphenyl)oxamide
CID 108513447
N-(2-amino-5-methylphenyl)-N'-(2-methoxy-5-nitrophenyl)oxamide
CID 108532452
N-(2-chloro-3-pyridinyl)-N'-(2-methoxy-5-nitrophenyl)oxamide
CID 108520495
3-acetamido-N-(3-acetylphenyl)-4-methoxybenzamide
CID 110764313
3-(2-methoxy-5-nitrophenyl)-1,1-diphenylurea
CID 3430269

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-N'-(2-methoxy-5-nitrophenyl)oxamide?
The IUPAC name of N-(3-acetylphenyl)-N'-(2-methoxy-5-nitrophenyl)oxamide (CID 108515064) is N-(3-acetylphenyl)-N'-(2-methoxy-5-nitrophenyl)oxamide.
What is the SMILES notation for N-(3-acetylphenyl)-N'-(2-methoxy-5-nitrophenyl)oxamide?
The canonical SMILES for N-(3-acetylphenyl)-N'-(2-methoxy-5-nitrophenyl)oxamide is COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)Nc1cccc(C(C)=O)c1.
What is the InChIKey of N-(3-acetylphenyl)-N'-(2-methoxy-5-nitrophenyl)oxamide?
The InChIKey is MMIUPTPSIGNYCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O6/c1-10(21)11-4-3-5-12(8-11)18-16(22)17(23)19-14-9-13(20(24)25)6-7-15(14)26-2/h3-9H,1-2H3,(H,18,22)(H,19,23).
What are the key properties of N-(3-acetylphenyl)-N'-(2-methoxy-5-nitrophenyl)oxamide?
N-(3-acetylphenyl)-N'-(2-methoxy-5-nitrophenyl)oxamide has a molecular weight of 357.32 g/mol, XLogP of 2.38, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-N'-(2-methoxy-5-nitrophenyl)oxamide is sourced from PubChem (CID 108515064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).