N-(2-methoxy-5-nitrophenyl)-3-phenylpropanamide

C16H16N2O4 — CID 674958

IUPACN-(2-methoxy-5-nitrophenyl)-3-phenylpropanamide
SMILESCOc1ccc([N+](=O)[O-])cc1NC(=O)CCc1ccccc1
InChIInChI=1S/C16H16N2O4/c1-22-15-9-8-13(18(20)21)11-14(15)17-16(19)10-7-12-5-3-2-4-6-12/h2-6,8-9,11H,7,10H2,1H3,(H,17,19)
InChIKeyDXQNMBKWJDBULV-UHFFFAOYSA-N
MW300.31 g/mol
LogP3.17
Rot. Bonds6

About N-(2-methoxy-5-nitrophenyl)-3-phenylpropanamide

N-(2-methoxy-5-nitrophenyl)-3-phenylpropanamide (PubChem CID 674958) has the molecular formula C16H16N2O4 and a molecular weight of 300.31 g/mol. Its IUPAC name is N-(2-methoxy-5-nitrophenyl)-3-phenylpropanamide.

Molecular Properties

Compound NameN-(2-methoxy-5-nitrophenyl)-3-phenylpropanamide
PubChem CID674958
Molecular FormulaC16H16N2O4
Molecular Weight300.31 g/mol
Exact Mass300.11
IUPAC NameN-(2-methoxy-5-nitrophenyl)-3-phenylpropanamide
SMILESCOc1ccc([N+](=O)[O-])cc1NC(=O)CCc1ccccc1
InChIInChI=1S/C16H16N2O4/c1-22-15-9-8-13(18(20)21)11-14(15)17-16(19)10-7-12-5-3-2-4-6-12/h2-6,8-9,11H,7,10H2,1H3,(H,17,19)
InChIKeyDXQNMBKWJDBULV-UHFFFAOYSA-N
XLogP3.17
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 53.17
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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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-5-nitrophenyl)-3-phenylpropanamide?
The IUPAC name of N-(2-methoxy-5-nitrophenyl)-3-phenylpropanamide (CID 674958) is N-(2-methoxy-5-nitrophenyl)-3-phenylpropanamide.
What is the SMILES notation for N-(2-methoxy-5-nitrophenyl)-3-phenylpropanamide?
The canonical SMILES for N-(2-methoxy-5-nitrophenyl)-3-phenylpropanamide is COc1ccc([N+](=O)[O-])cc1NC(=O)CCc1ccccc1.
What is the InChIKey of N-(2-methoxy-5-nitrophenyl)-3-phenylpropanamide?
The InChIKey is DXQNMBKWJDBULV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O4/c1-22-15-9-8-13(18(20)21)11-14(15)17-16(19)10-7-12-5-3-2-4-6-12/h2-6,8-9,11H,7,10H2,1H3,(H,17,19).
What are the key properties of N-(2-methoxy-5-nitrophenyl)-3-phenylpropanamide?
N-(2-methoxy-5-nitrophenyl)-3-phenylpropanamide has a molecular weight of 300.31 g/mol, XLogP of 3.17, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-5-nitrophenyl)-3-phenylpropanamide is sourced from PubChem (CID 674958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).