N-[1-(3,4-dimethoxyphenyl)propyl]-2-(2-nitrophenyl)acetamide

C19H22N2O5 — CID 132653987

IUPACN-[1-(3,4-dimethoxyphenyl)propyl]-2-(2-nitrophenyl)acetamide
SMILESCCC(NC(=O)Cc1ccccc1[N+](=O)[O-])c1ccc(OC)c(OC)c1
InChIInChI=1S/C19H22N2O5/c1-4-15(13-9-10-17(25-2)18(11-13)26-3)20-19(22)12-14-7-5-6-8-16(14)21(23)24/h5-11,15H,4,12H2,1-3H3,(H,20,22)
InChIKeyZZCUJXNJGRSGHA-UHFFFAOYSA-N
MW358.39 g/mol
LogP3.42
Rot. Bonds8

About N-[1-(3,4-dimethoxyphenyl)propyl]-2-(2-nitrophenyl)acetamide

N-[1-(3,4-dimethoxyphenyl)propyl]-2-(2-nitrophenyl)acetamide (PubChem CID 132653987) has the molecular formula C19H22N2O5 and a molecular weight of 358.39 g/mol. Its IUPAC name is N-[1-(3,4-dimethoxyphenyl)propyl]-2-(2-nitrophenyl)acetamide.

Molecular Properties

Compound NameN-[1-(3,4-dimethoxyphenyl)propyl]-2-(2-nitrophenyl)acetamide
PubChem CID132653987
Molecular FormulaC19H22N2O5
Molecular Weight358.39 g/mol
Exact Mass358.15
IUPAC NameN-[1-(3,4-dimethoxyphenyl)propyl]-2-(2-nitrophenyl)acetamide
SMILESCCC(NC(=O)Cc1ccccc1[N+](=O)[O-])c1ccc(OC)c(OC)c1
InChIInChI=1S/C19H22N2O5/c1-4-15(13-9-10-17(25-2)18(11-13)26-3)20-19(22)12-14-7-5-6-8-16(14)21(23)24/h5-11,15H,4,12H2,1-3H3,(H,20,22)
InChIKeyZZCUJXNJGRSGHA-UHFFFAOYSA-N
XLogP3.42
TPSA90.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.39
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-[1-(4-methoxyphenyl)propyl]-2-(2-nitrophenyl)acetamide
CID 51187449
N-[1-(4-methoxyphenyl)-3-methylbutyl]-2-(2-nitrophenyl)acetamide
CID 43907892
N-[1-(3,4-dimethoxyphenyl)propyl]-2-(4-ethylphenyl)acetamide
CID 133201762
2-(2-nitrophenyl)-N-pentan-3-ylacetamide
CID 884922
N-[1-(3,4-dimethoxyphenyl)propyl]-4-methyl-3-nitrobenzamide
CID 132653990
methyl (3S)-3-[[2-(2-nitrophenyl)acetyl]amino]-3-phenylpropanoate
CID 40856389
N-[1-(3,4-dimethoxyphenyl)propyl]-4-phenoxybutanamide
CID 132653922
(3S)-3-(3,4-dimethoxyphenyl)-3-[(2-phenylacetyl)amino]propanoate
CID 6926087
N-[(1R)-1-(3,4-dimethoxyphenyl)propyl]benzamide
CID 7311220
N-[1-[2-[2-(dimethylamino)-2-oxoethoxy]phenyl]propyl]-2-(2-nitrophenyl)acetamide
CID 60534764
N-[(1R)-1-(3,4-dimethoxyphenyl)propyl]-2-(2-methylphenoxy)acetamide
CID 99993393
2-(2-nitrophenyl)-N-[(2R)-pentan-2-yl]acetamide
CID 874422

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-dimethoxyphenyl)propyl]-2-(2-nitrophenyl)acetamide?
The IUPAC name of N-[1-(3,4-dimethoxyphenyl)propyl]-2-(2-nitrophenyl)acetamide (CID 132653987) is N-[1-(3,4-dimethoxyphenyl)propyl]-2-(2-nitrophenyl)acetamide.
What is the SMILES notation for N-[1-(3,4-dimethoxyphenyl)propyl]-2-(2-nitrophenyl)acetamide?
The canonical SMILES for N-[1-(3,4-dimethoxyphenyl)propyl]-2-(2-nitrophenyl)acetamide is CCC(NC(=O)Cc1ccccc1[N+](=O)[O-])c1ccc(OC)c(OC)c1.
What is the InChIKey of N-[1-(3,4-dimethoxyphenyl)propyl]-2-(2-nitrophenyl)acetamide?
The InChIKey is ZZCUJXNJGRSGHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O5/c1-4-15(13-9-10-17(25-2)18(11-13)26-3)20-19(22)12-14-7-5-6-8-16(14)21(23)24/h5-11,15H,4,12H2,1-3H3,(H,20,22).
What are the key properties of N-[1-(3,4-dimethoxyphenyl)propyl]-2-(2-nitrophenyl)acetamide?
N-[1-(3,4-dimethoxyphenyl)propyl]-2-(2-nitrophenyl)acetamide has a molecular weight of 358.39 g/mol, XLogP of 3.42, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-dimethoxyphenyl)propyl]-2-(2-nitrophenyl)acetamide is sourced from PubChem (CID 132653987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).