3-(4-methoxyphenyl)-N-(4-methyl-3-nitrophenyl)propanamide

C17H18N2O4 — CID 898410

IUPAC3-(4-methoxyphenyl)-N-(4-methyl-3-nitrophenyl)propanamide
SMILESCOc1ccc(CCC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)cc1
InChIInChI=1S/C17H18N2O4/c1-12-3-7-14(11-16(12)19(21)22)18-17(20)10-6-13-4-8-15(23-2)9-5-13/h3-5,7-9,11H,6,10H2,1-2H3,(H,18,20)
InChIKeyNSZJFBAQOMTOTO-UHFFFAOYSA-N
MW314.34 g/mol
LogP3.48
Rot. Bonds6

About 3-(4-methoxyphenyl)-N-(4-methyl-3-nitrophenyl)propanamide

3-(4-methoxyphenyl)-N-(4-methyl-3-nitrophenyl)propanamide (PubChem CID 898410) has the molecular formula C17H18N2O4 and a molecular weight of 314.34 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-N-(4-methyl-3-nitrophenyl)propanamide.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-N-(4-methyl-3-nitrophenyl)propanamide
PubChem CID898410
Molecular FormulaC17H18N2O4
Molecular Weight314.34 g/mol
Exact Mass314.13
IUPAC Name3-(4-methoxyphenyl)-N-(4-methyl-3-nitrophenyl)propanamide
SMILESCOc1ccc(CCC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)cc1
InChIInChI=1S/C17H18N2O4/c1-12-3-7-14(11-16(12)19(21)22)18-17(20)10-6-13-4-8-15(23-2)9-5-13/h3-5,7-9,11H,6,10H2,1-2H3,(H,18,20)
InChIKeyNSZJFBAQOMTOTO-UHFFFAOYSA-N
XLogP3.48
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 53.48
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

N-(4-methoxyphenyl)-2-nitrobenzamide
CID 789287
3-(4-Methoxyphenyl)-n-(4-nitrophenyl)-3-oxopropanamide
CID 289413
N-[2-(4-methoxyphenyl)ethyl]-4-nitrobenzamide
CID 726887
N-(2-methoxy-5-nitrophenyl)-4-phenyltetrahydro-2H-pyran-4-carboxamide
CID 1260384
1-[2-(4-Methoxyphenyl)ethyl]-3-(3-nitrophenyl)urea
CID 2981704
N-(3-methoxybenzyl)-N'-(3-nitrophenyl)pentanediamide
CID 3993135
N-(2-methoxy-5-nitrophenyl)-3-phenylpropanamide
CID 674958
1-[(4-methoxyphenyl)methyl]-5-nitro-2-oxo-N-(2-phenylethyl)quinoline-3-carboxamide
CID 134137023
4-methoxy-N-(2-methyl-5-nitrophenyl)benzamide
CID 710638
N-(2-methoxy-5-nitrophenyl)-2-(4-methylphenyl)acetamide
CID 891067
N-(2-methoxy-5-nitrophenyl)-3,3-diphenylpropanamide
CID 1362633
N-(2-methyl-3-nitrophenyl)-4-phenoxybutanamide
CID 2114626

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-N-(4-methyl-3-nitrophenyl)propanamide?
The IUPAC name of 3-(4-methoxyphenyl)-N-(4-methyl-3-nitrophenyl)propanamide (CID 898410) is 3-(4-methoxyphenyl)-N-(4-methyl-3-nitrophenyl)propanamide.
What is the SMILES notation for 3-(4-methoxyphenyl)-N-(4-methyl-3-nitrophenyl)propanamide?
The canonical SMILES for 3-(4-methoxyphenyl)-N-(4-methyl-3-nitrophenyl)propanamide is COc1ccc(CCC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-N-(4-methyl-3-nitrophenyl)propanamide?
The InChIKey is NSZJFBAQOMTOTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O4/c1-12-3-7-14(11-16(12)19(21)22)18-17(20)10-6-13-4-8-15(23-2)9-5-13/h3-5,7-9,11H,6,10H2,1-2H3,(H,18,20).
What are the key properties of 3-(4-methoxyphenyl)-N-(4-methyl-3-nitrophenyl)propanamide?
3-(4-methoxyphenyl)-N-(4-methyl-3-nitrophenyl)propanamide has a molecular weight of 314.34 g/mol, XLogP of 3.48, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-N-(4-methyl-3-nitrophenyl)propanamide is sourced from PubChem (CID 898410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).