N-(4-methoxy-2-nitrophenyl)-2,2-dimethylbutanamide

C13H18N2O4 — CID 3140520

IUPACN-(4-methoxy-2-nitrophenyl)-2,2-dimethylbutanamide
SMILESCCC(C)(C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-]
InChIInChI=1S/C13H18N2O4/c1-5-13(2,3)12(16)14-10-7-6-9(19-4)8-11(10)15(17)18/h6-8H,5H2,1-4H3,(H,14,16)
InChIKeyNJVOSQQFSZCBJV-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.98
Rot. Bonds5

About N-(4-methoxy-2-nitrophenyl)-2,2-dimethylbutanamide

N-(4-methoxy-2-nitrophenyl)-2,2-dimethylbutanamide (PubChem CID 3140520) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is N-(4-methoxy-2-nitrophenyl)-2,2-dimethylbutanamide.

Molecular Properties

Compound NameN-(4-methoxy-2-nitrophenyl)-2,2-dimethylbutanamide
PubChem CID3140520
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC NameN-(4-methoxy-2-nitrophenyl)-2,2-dimethylbutanamide
SMILESCCC(C)(C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-]
InChIInChI=1S/C13H18N2O4/c1-5-13(2,3)12(16)14-10-7-6-9(19-4)8-11(10)15(17)18/h6-8H,5H2,1-4H3,(H,14,16)
InChIKeyNJVOSQQFSZCBJV-UHFFFAOYSA-N
XLogP2.98
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-amino-N-(4-methoxy-2-nitrophenyl)-2-methylpentanamide
CID 60848957
2-(4-chlorophenoxy)-N-(4-methoxy-2-nitrophenyl)-2-methylpropanamide
CID 2934377
2,2,3,3,4,4,5,5,5-nonafluoro-N-(4-methoxy-2-nitrophenyl)pentanamide
CID 4102535
1-tert-butyl-3-(4-methoxy-2-nitrophenyl)thiourea
CID 2797798
(2R)-2-amino-N-(4-methoxy-2-nitrophenyl)-3,3-dimethylbutanamide
CID 103928804
3-ethoxy-N-(4-methoxy-2-nitrophenyl)propanamide
CID 2975661
N-[(4-methoxy-2-nitrophenyl)carbamothioyl]-3,3-dimethylbutanamide
CID 19189245
N-(4-methoxy-2-nitrophenyl)-2-nitrosoacetamide
CID 90848222
2-N,6-N-bis(4-methoxy-2-nitrophenyl)pyridine-2,6-dicarboxamide
CID 3620305
3-[3-(4-methoxy-2-nitroanilino)-3-oxopropyl]sulfanyl-N-(4-methoxy-2-nitrophenyl)propanamide
CID 5142693
N-(4-ethoxy-2-nitrophenyl)-2,2,2-trifluoroacetamide
CID 5060247
N-(4-methoxy-2-nitrophenyl)-2-phenylacetamide
CID 3101369

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxy-2-nitrophenyl)-2,2-dimethylbutanamide?
The IUPAC name of N-(4-methoxy-2-nitrophenyl)-2,2-dimethylbutanamide (CID 3140520) is N-(4-methoxy-2-nitrophenyl)-2,2-dimethylbutanamide.
What is the SMILES notation for N-(4-methoxy-2-nitrophenyl)-2,2-dimethylbutanamide?
The canonical SMILES for N-(4-methoxy-2-nitrophenyl)-2,2-dimethylbutanamide is CCC(C)(C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-].
What is the InChIKey of N-(4-methoxy-2-nitrophenyl)-2,2-dimethylbutanamide?
The InChIKey is NJVOSQQFSZCBJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-5-13(2,3)12(16)14-10-7-6-9(19-4)8-11(10)15(17)18/h6-8H,5H2,1-4H3,(H,14,16).
What are the key properties of N-(4-methoxy-2-nitrophenyl)-2,2-dimethylbutanamide?
N-(4-methoxy-2-nitrophenyl)-2,2-dimethylbutanamide has a molecular weight of 266.30 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxy-2-nitrophenyl)-2,2-dimethylbutanamide is sourced from PubChem (CID 3140520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).