N-(4-tert-butylphenyl)-N'-(2-methoxy-4-nitrophenyl)oxamide

C19H21N3O5 — CID 108513014

IUPACN-(4-tert-butylphenyl)-N'-(2-methoxy-4-nitrophenyl)oxamide
SMILESCOc1cc([N+](=O)[O-])ccc1NC(=O)C(=O)Nc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C19H21N3O5/c1-19(2,3)12-5-7-13(8-6-12)20-17(23)18(24)21-15-10-9-14(22(25)26)11-16(15)27-4/h5-11H,1-4H3,(H,20,23)(H,21,24)
InChIKeyRVAOEUSXZMWDQW-UHFFFAOYSA-N
MW371.39 g/mol
LogP3.48
Rot. Bonds4

About N-(4-tert-butylphenyl)-N'-(2-methoxy-4-nitrophenyl)oxamide

N-(4-tert-butylphenyl)-N'-(2-methoxy-4-nitrophenyl)oxamide (PubChem CID 108513014) has the molecular formula C19H21N3O5 and a molecular weight of 371.39 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-N'-(2-methoxy-4-nitrophenyl)oxamide.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-N'-(2-methoxy-4-nitrophenyl)oxamide
PubChem CID108513014
Molecular FormulaC19H21N3O5
Molecular Weight371.39 g/mol
Exact Mass371.15
IUPAC NameN-(4-tert-butylphenyl)-N'-(2-methoxy-4-nitrophenyl)oxamide
SMILESCOc1cc([N+](=O)[O-])ccc1NC(=O)C(=O)Nc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C19H21N3O5/c1-19(2,3)12-5-7-13(8-6-12)20-17(23)18(24)21-15-10-9-14(22(25)26)11-16(15)27-4/h5-11H,1-4H3,(H,20,23)(H,21,24)
InChIKeyRVAOEUSXZMWDQW-UHFFFAOYSA-N
XLogP3.48
TPSA110.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.39
LogP ≤ 53.48
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'-(3,5-dimethylphenyl)-N-(2-methoxy-4-nitrophenyl)oxamide
CID 108513035
4-tert-butyl-N-[(Z)-3-(2-methoxy-4-nitroanilino)-1-(4-nitrophenyl)-3-oxoprop-1-en-2-yl]benzamide
CID 46497449
4-benzamido-N-(2-methoxy-4-nitrophenyl)benzamide
CID 17153277
[(2R)-1-(2-methoxy-4-nitroanilino)-1-oxopropan-2-yl] 4-tert-butylbenzoate
CID 7814866
N'-(2-amino-5-methylphenyl)-N-(2-methoxy-4-nitrophenyl)oxamide
CID 108513088
N'-butan-2-yl-N-(2-methoxy-4-nitrophenyl)oxamide
CID 108505403
N'-(4-chloro-2-methoxy-5-methylphenyl)-N-(4-nitrophenyl)oxamide
CID 108513231
N-[4-(diethylamino)phenyl]-N'-(2-methoxy-5-nitrophenyl)oxamide
CID 108530617
4-(butanoylamino)-N-(2-methoxy-4-nitrophenyl)benzamide
CID 2952481
2-(azepan-1-yl)-N-(2-methoxy-4-nitrophenyl)-2-oxoacetamide
CID 108512934
N'-(2-methoxy-4-nitrophenyl)-N-[(4-methylphenyl)methyl]oxamide
CID 108512912
N'-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(2-methoxy-4-nitrophenyl)oxamide
CID 108513016

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-N'-(2-methoxy-4-nitrophenyl)oxamide?
The IUPAC name of N-(4-tert-butylphenyl)-N'-(2-methoxy-4-nitrophenyl)oxamide (CID 108513014) is N-(4-tert-butylphenyl)-N'-(2-methoxy-4-nitrophenyl)oxamide.
What is the SMILES notation for N-(4-tert-butylphenyl)-N'-(2-methoxy-4-nitrophenyl)oxamide?
The canonical SMILES for N-(4-tert-butylphenyl)-N'-(2-methoxy-4-nitrophenyl)oxamide is COc1cc([N+](=O)[O-])ccc1NC(=O)C(=O)Nc1ccc(C(C)(C)C)cc1.
What is the InChIKey of N-(4-tert-butylphenyl)-N'-(2-methoxy-4-nitrophenyl)oxamide?
The InChIKey is RVAOEUSXZMWDQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O5/c1-19(2,3)12-5-7-13(8-6-12)20-17(23)18(24)21-15-10-9-14(22(25)26)11-16(15)27-4/h5-11H,1-4H3,(H,20,23)(H,21,24).
What are the key properties of N-(4-tert-butylphenyl)-N'-(2-methoxy-4-nitrophenyl)oxamide?
N-(4-tert-butylphenyl)-N'-(2-methoxy-4-nitrophenyl)oxamide has a molecular weight of 371.39 g/mol, XLogP of 3.48, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)-N'-(2-methoxy-4-nitrophenyl)oxamide is sourced from PubChem (CID 108513014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).