N-(4-nitrophenyl)-4-propan-2-yloxybenzamide

C16H16N2O4 — CID 2984381

IUPACN-(4-nitrophenyl)-4-propan-2-yloxybenzamide
SMILESCC(C)Oc1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C16H16N2O4/c1-11(2)22-15-9-3-12(4-10-15)16(19)17-13-5-7-14(8-6-13)18(20)21/h3-11H,1-2H3,(H,17,19)
InChIKeyJXWDPNYISACYQM-UHFFFAOYSA-N
MW300.31 g/mol
LogP3.63
Rot. Bonds5

About N-(4-nitrophenyl)-4-propan-2-yloxybenzamide

N-(4-nitrophenyl)-4-propan-2-yloxybenzamide (PubChem CID 2984381) has the molecular formula C16H16N2O4 and a molecular weight of 300.31 g/mol. Its IUPAC name is N-(4-nitrophenyl)-4-propan-2-yloxybenzamide.

Molecular Properties

Compound NameN-(4-nitrophenyl)-4-propan-2-yloxybenzamide
PubChem CID2984381
Molecular FormulaC16H16N2O4
Molecular Weight300.31 g/mol
Exact Mass300.11
IUPAC NameN-(4-nitrophenyl)-4-propan-2-yloxybenzamide
SMILESCC(C)Oc1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C16H16N2O4/c1-11(2)22-15-9-3-12(4-10-15)16(19)17-13-5-7-14(8-6-13)18(20)21/h3-11H,1-2H3,(H,17,19)
InChIKeyJXWDPNYISACYQM-UHFFFAOYSA-N
XLogP3.63
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 53.63
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-(4-nitrophenyl)-4-propan-2-yloxybenzamide?
The IUPAC name of N-(4-nitrophenyl)-4-propan-2-yloxybenzamide (CID 2984381) is N-(4-nitrophenyl)-4-propan-2-yloxybenzamide.
What is the SMILES notation for N-(4-nitrophenyl)-4-propan-2-yloxybenzamide?
The canonical SMILES for N-(4-nitrophenyl)-4-propan-2-yloxybenzamide is CC(C)Oc1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1.
What is the InChIKey of N-(4-nitrophenyl)-4-propan-2-yloxybenzamide?
The InChIKey is JXWDPNYISACYQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O4/c1-11(2)22-15-9-3-12(4-10-15)16(19)17-13-5-7-14(8-6-13)18(20)21/h3-11H,1-2H3,(H,17,19).
What are the key properties of N-(4-nitrophenyl)-4-propan-2-yloxybenzamide?
N-(4-nitrophenyl)-4-propan-2-yloxybenzamide has a molecular weight of 300.31 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-nitrophenyl)-4-propan-2-yloxybenzamide is sourced from PubChem (CID 2984381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).