N-[1-(4-methoxyphenyl)propyl]-2-(2-nitrophenyl)acetamide

C18H20N2O4 — CID 51187449

IUPACN-[1-(4-methoxyphenyl)propyl]-2-(2-nitrophenyl)acetamide
SMILESCCC(NC(=O)Cc1ccccc1[N+](=O)[O-])c1ccc(OC)cc1
InChIInChI=1S/C18H20N2O4/c1-3-16(13-8-10-15(24-2)11-9-13)19-18(21)12-14-6-4-5-7-17(14)20(22)23/h4-11,16H,3,12H2,1-2H3,(H,19,21)
InChIKeyDICYWXHZXGOMKO-UHFFFAOYSA-N
MW328.37 g/mol
LogP3.41
Rot. Bonds7

About N-[1-(4-methoxyphenyl)propyl]-2-(2-nitrophenyl)acetamide

N-[1-(4-methoxyphenyl)propyl]-2-(2-nitrophenyl)acetamide (PubChem CID 51187449) has the molecular formula C18H20N2O4 and a molecular weight of 328.37 g/mol. Its IUPAC name is N-[1-(4-methoxyphenyl)propyl]-2-(2-nitrophenyl)acetamide.

Molecular Properties

Compound NameN-[1-(4-methoxyphenyl)propyl]-2-(2-nitrophenyl)acetamide
PubChem CID51187449
Molecular FormulaC18H20N2O4
Molecular Weight328.37 g/mol
Exact Mass328.14
IUPAC NameN-[1-(4-methoxyphenyl)propyl]-2-(2-nitrophenyl)acetamide
SMILESCCC(NC(=O)Cc1ccccc1[N+](=O)[O-])c1ccc(OC)cc1
InChIInChI=1S/C18H20N2O4/c1-3-16(13-8-10-15(24-2)11-9-13)19-18(21)12-14-6-4-5-7-17(14)20(22)23/h4-11,16H,3,12H2,1-2H3,(H,19,21)
InChIKeyDICYWXHZXGOMKO-UHFFFAOYSA-N
XLogP3.41
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 53.41
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-[1-(4-methoxyphenyl)-3-methylbutyl]-2-(2-nitrophenyl)acetamide
CID 43907892
N-[1-(3,4-dimethoxyphenyl)propyl]-2-(2-nitrophenyl)acetamide
CID 132653987
methyl (3S)-3-[[2-(2-nitrophenyl)acetyl]amino]-3-phenylpropanoate
CID 40856389
N-[(1R)-1-(4-methoxyphenyl)propyl]-2-phenylacetamide
CID 28632525
N-[1-(4-methoxyphenyl)propyl]-2-methyl-3-nitrobenzamide
CID 43886215
2-(2-nitrophenyl)-N-pentan-3-ylacetamide
CID 884922
N-[(4-methoxyphenyl)methyl]-2-(2-nitrophenyl)acetamide
CID 743835
2-(2-nitrophenyl)-N-[1-(4-propan-2-yloxyphenyl)ethyl]acetamide
CID 134060695
2-(4-ethylphenyl)-N-[1-(4-methoxyphenyl)propyl]acetamide
CID 133184871
N-[(1R)-1-(4-methoxyphenyl)propyl]-2-nitrobenzenesulfonamide
CID 28635365
2-(4-hydroxyphenyl)-N-[1-(4-methoxyphenyl)propyl]acetamide
CID 78807011
N-[1-(4-methoxyphenyl)propyl]-2,2-diphenylacetamide
CID 55371775

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methoxyphenyl)propyl]-2-(2-nitrophenyl)acetamide?
The IUPAC name of N-[1-(4-methoxyphenyl)propyl]-2-(2-nitrophenyl)acetamide (CID 51187449) is N-[1-(4-methoxyphenyl)propyl]-2-(2-nitrophenyl)acetamide.
What is the SMILES notation for N-[1-(4-methoxyphenyl)propyl]-2-(2-nitrophenyl)acetamide?
The canonical SMILES for N-[1-(4-methoxyphenyl)propyl]-2-(2-nitrophenyl)acetamide is CCC(NC(=O)Cc1ccccc1[N+](=O)[O-])c1ccc(OC)cc1.
What is the InChIKey of N-[1-(4-methoxyphenyl)propyl]-2-(2-nitrophenyl)acetamide?
The InChIKey is DICYWXHZXGOMKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4/c1-3-16(13-8-10-15(24-2)11-9-13)19-18(21)12-14-6-4-5-7-17(14)20(22)23/h4-11,16H,3,12H2,1-2H3,(H,19,21).
What are the key properties of N-[1-(4-methoxyphenyl)propyl]-2-(2-nitrophenyl)acetamide?
N-[1-(4-methoxyphenyl)propyl]-2-(2-nitrophenyl)acetamide has a molecular weight of 328.37 g/mol, XLogP of 3.41, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methoxyphenyl)propyl]-2-(2-nitrophenyl)acetamide is sourced from PubChem (CID 51187449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).