N-(4-methoxy-3-nitrophenyl)propanamide

C10H12N2O4 — CID 2995377

IUPACN-(4-methoxy-3-nitrophenyl)propanamide
SMILESCCC(=O)Nc1ccc(OC)c([N+](=O)[O-])c1
InChIInChI=1S/C10H12N2O4/c1-3-10(13)11-7-4-5-9(16-2)8(6-7)12(14)15/h4-6H,3H2,1-2H3,(H,11,13)
InChIKeyVJXKSKRNWXAKOQ-UHFFFAOYSA-N
MW224.22 g/mol
LogP1.95
Rot. Bonds4

About N-(4-methoxy-3-nitrophenyl)propanamide

N-(4-methoxy-3-nitrophenyl)propanamide (PubChem CID 2995377) has the molecular formula C10H12N2O4 and a molecular weight of 224.22 g/mol. Its IUPAC name is N-(4-methoxy-3-nitrophenyl)propanamide.

Molecular Properties

Compound NameN-(4-methoxy-3-nitrophenyl)propanamide
PubChem CID2995377
Molecular FormulaC10H12N2O4
Molecular Weight224.22 g/mol
Exact Mass224.08
IUPAC NameN-(4-methoxy-3-nitrophenyl)propanamide
SMILESCCC(=O)Nc1ccc(OC)c([N+](=O)[O-])c1
InChIInChI=1S/C10H12N2O4/c1-3-10(13)11-7-4-5-9(16-2)8(6-7)12(14)15/h4-6H,3H2,1-2H3,(H,11,13)
InChIKeyVJXKSKRNWXAKOQ-UHFFFAOYSA-N
XLogP1.95
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.22
LogP ≤ 51.95
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-(4-chloro-2-methylphenoxy)-N-(4-methoxy-3-nitrophenyl)acetamide
CID 17101974
3-(4-chlorophenoxy)-N-(4-methoxy-3-nitrophenyl)propanamide
CID 108790150
3,4,5-trimethoxy-N-(4-methoxy-3-nitrophenyl)benzamide
CID 17101962
4-methoxy-N-methyl-3-nitroaniline
CID 4183507
N-(4-methoxy-3-nitrophenyl)-2-(1-methyltetrazol-5-yl)acetamide
CID 110500427
phenyl N-(4-methoxy-3-nitrophenyl)carbamate
CID 12877201
1-amino-N-(4-methoxy-3-nitrophenyl)cyclopropane-1-carboxamide
CID 113385263
N-[3-nitro-4-(propylamino)phenyl]propanamide
CID 90820833
methyl 2-[(4-methoxy-3-nitrophenyl)carbamoyl]benzoate
CID 108785557
5-bromo-2-methoxy-N-(4-methoxy-3-nitrophenyl)benzamide
CID 2994913
N-(4-methoxy-3-nitrophenyl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 17101923
N-(3,4-diethoxyphenyl)-4-methoxy-3-nitrobenzamide
CID 1265698

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxy-3-nitrophenyl)propanamide?
The IUPAC name of N-(4-methoxy-3-nitrophenyl)propanamide (CID 2995377) is N-(4-methoxy-3-nitrophenyl)propanamide.
What is the SMILES notation for N-(4-methoxy-3-nitrophenyl)propanamide?
The canonical SMILES for N-(4-methoxy-3-nitrophenyl)propanamide is CCC(=O)Nc1ccc(OC)c([N+](=O)[O-])c1.
What is the InChIKey of N-(4-methoxy-3-nitrophenyl)propanamide?
The InChIKey is VJXKSKRNWXAKOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O4/c1-3-10(13)11-7-4-5-9(16-2)8(6-7)12(14)15/h4-6H,3H2,1-2H3,(H,11,13).
What are the key properties of N-(4-methoxy-3-nitrophenyl)propanamide?
N-(4-methoxy-3-nitrophenyl)propanamide has a molecular weight of 224.22 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxy-3-nitrophenyl)propanamide is sourced from PubChem (CID 2995377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).