N-[3-(4-nitrophenyl)propyl]acetamide

C11H14N2O3 — CID 58774168

IUPACN-[3-(4-nitrophenyl)propyl]acetamide
SMILESCC(=O)NCCCc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C11H14N2O3/c1-9(14)12-8-2-3-10-4-6-11(7-5-10)13(15)16/h4-7H,2-3,8H2,1H3,(H,12,14)
InChIKeySDAAGDYJIMWTGT-UHFFFAOYSA-N
MW222.24 g/mol
LogP1.66
Rot. Bonds5

About N-[3-(4-nitrophenyl)propyl]acetamide

N-[3-(4-nitrophenyl)propyl]acetamide (PubChem CID 58774168) has the molecular formula C11H14N2O3 and a molecular weight of 222.24 g/mol. Its IUPAC name is N-[3-(4-nitrophenyl)propyl]acetamide.

Molecular Properties

Compound NameN-[3-(4-nitrophenyl)propyl]acetamide
PubChem CID58774168
Molecular FormulaC11H14N2O3
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC NameN-[3-(4-nitrophenyl)propyl]acetamide
SMILESCC(=O)NCCCc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C11H14N2O3/c1-9(14)12-8-2-3-10-4-6-11(7-5-10)13(15)16/h4-7H,2-3,8H2,1H3,(H,12,14)
InChIKeySDAAGDYJIMWTGT-UHFFFAOYSA-N
XLogP1.66
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[3-(4-nitroanilino)propyl]acetamide
CID 2885784
2-(4-nitrophenyl)-N-(3-phenylpropyl)acetamide
CID 3684715
N-[4-[4-(3-acetamidopropyl)phenyl]-1,3-thiazol-2-yl]-4-nitrobenzamide
CID 46820400
N-[3-(4-fluorophenyl)propyl]acetamide
CID 58997658
3-amino-2-methyl-N-[4-(4-nitrophenyl)butyl]butanamide
CID 120500594
1,1-dimethyl-2-[3-(4-nitrophenyl)propyl]hydrazine
CID 67655342
1-amino-N-[4-(4-nitrophenyl)butyl]cyclopropane-1-carboxamide
CID 119778284
3-amino-N-[4-(4-nitrophenyl)butyl]propanamide
CID 119320506
3-amino-N-[4-(4-nitrophenyl)butyl]propanamide;hydrochloride
CID 119320505
2-(4-acetamidophenyl)-N-[2-(4-nitrophenyl)ethyl]acetamide
CID 14180969
2,2-dimethyl-4-[4-(4-nitrophenyl)butylamino]-4-oxobutanoic acid
CID 119137649
N'-[2-(4-nitrophenyl)ethyl]-N-propyloxamide
CID 23279451

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-nitrophenyl)propyl]acetamide?
The IUPAC name of N-[3-(4-nitrophenyl)propyl]acetamide (CID 58774168) is N-[3-(4-nitrophenyl)propyl]acetamide.
What is the SMILES notation for N-[3-(4-nitrophenyl)propyl]acetamide?
The canonical SMILES for N-[3-(4-nitrophenyl)propyl]acetamide is CC(=O)NCCCc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-[3-(4-nitrophenyl)propyl]acetamide?
The InChIKey is SDAAGDYJIMWTGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3/c1-9(14)12-8-2-3-10-4-6-11(7-5-10)13(15)16/h4-7H,2-3,8H2,1H3,(H,12,14).
What are the key properties of N-[3-(4-nitrophenyl)propyl]acetamide?
N-[3-(4-nitrophenyl)propyl]acetamide has a molecular weight of 222.24 g/mol, XLogP of 1.66, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-nitrophenyl)propyl]acetamide is sourced from PubChem (CID 58774168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).