N'-butan-2-yl-N-(2-methoxy-4-nitrophenyl)oxamide

C13H17N3O5 — CID 108505403

IUPACN'-butan-2-yl-N-(2-methoxy-4-nitrophenyl)oxamide
SMILESCCC(C)NC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1OC
InChIInChI=1S/C13H17N3O5/c1-4-8(2)14-12(17)13(18)15-10-6-5-9(16(19)20)7-11(10)21-3/h5-8H,4H2,1-3H3,(H,14,17)(H,15,18)
InChIKeyFDZQDZZOYWQCJB-UHFFFAOYSA-N
MW295.30 g/mol
LogP1.46
Rot. Bonds5

About N'-butan-2-yl-N-(2-methoxy-4-nitrophenyl)oxamide

N'-butan-2-yl-N-(2-methoxy-4-nitrophenyl)oxamide (PubChem CID 108505403) has the molecular formula C13H17N3O5 and a molecular weight of 295.30 g/mol. Its IUPAC name is N'-butan-2-yl-N-(2-methoxy-4-nitrophenyl)oxamide.

Molecular Properties

Compound NameN'-butan-2-yl-N-(2-methoxy-4-nitrophenyl)oxamide
PubChem CID108505403
Molecular FormulaC13H17N3O5
Molecular Weight295.30 g/mol
Exact Mass295.12
IUPAC NameN'-butan-2-yl-N-(2-methoxy-4-nitrophenyl)oxamide
SMILESCCC(C)NC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1OC
InChIInChI=1S/C13H17N3O5/c1-4-8(2)14-12(17)13(18)15-10-6-5-9(16(19)20)7-11(10)21-3/h5-8H,4H2,1-3H3,(H,14,17)(H,15,18)
InChIKeyFDZQDZZOYWQCJB-UHFFFAOYSA-N
XLogP1.46
TPSA110.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

N'-[1-(1-adamantyl)ethyl]-N-(2-methoxy-4-nitrophenyl)oxamide
CID 108509013
N'-(3,5-dimethylphenyl)-N-(2-methoxy-4-nitrophenyl)oxamide
CID 108513035
1-ethyl-3-(2-methoxy-4-nitrophenyl)urea
CID 108890439
2-methylpropyl N-(2-methoxy-4-nitrophenyl)carbamate
CID 18877565
(2S)-2-[(2-methoxy-4-nitrophenyl)carbamoylamino]propanoic acid
CID 62881546
2-(ethylamino)-N-(2-methoxy-4-nitrophenyl)acetamide
CID 60641116
N-(4-tert-butylphenyl)-N'-(2-methoxy-4-nitrophenyl)oxamide
CID 108513014
2-(azepan-1-yl)-N-(2-methoxy-4-nitrophenyl)-2-oxoacetamide
CID 108512934
N'-(2-amino-5-methylphenyl)-N-(2-methoxy-4-nitrophenyl)oxamide
CID 108513088
N'-(2-methoxy-4-nitrophenyl)-N-[(4-methylphenyl)methyl]oxamide
CID 108512912
(2S)-2-amino-N-(2-methoxy-4-nitrophenyl)-3-methylbutanamide
CID 61179494
N-(2-methoxy-4-nitrophenyl)-3-(propan-2-ylamino)propanamide
CID 60716313

Frequently Asked Questions

What is the IUPAC name of N'-butan-2-yl-N-(2-methoxy-4-nitrophenyl)oxamide?
The IUPAC name of N'-butan-2-yl-N-(2-methoxy-4-nitrophenyl)oxamide (CID 108505403) is N'-butan-2-yl-N-(2-methoxy-4-nitrophenyl)oxamide.
What is the SMILES notation for N'-butan-2-yl-N-(2-methoxy-4-nitrophenyl)oxamide?
The canonical SMILES for N'-butan-2-yl-N-(2-methoxy-4-nitrophenyl)oxamide is CCC(C)NC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1OC.
What is the InChIKey of N'-butan-2-yl-N-(2-methoxy-4-nitrophenyl)oxamide?
The InChIKey is FDZQDZZOYWQCJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O5/c1-4-8(2)14-12(17)13(18)15-10-6-5-9(16(19)20)7-11(10)21-3/h5-8H,4H2,1-3H3,(H,14,17)(H,15,18).
What are the key properties of N'-butan-2-yl-N-(2-methoxy-4-nitrophenyl)oxamide?
N'-butan-2-yl-N-(2-methoxy-4-nitrophenyl)oxamide has a molecular weight of 295.30 g/mol, XLogP of 1.46, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-butan-2-yl-N-(2-methoxy-4-nitrophenyl)oxamide is sourced from PubChem (CID 108505403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).