N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-4-nitrobenzamide

C18H18N2O4 — CID 9298236

IUPACN-cyclopropyl-N-[(4-methoxyphenyl)methyl]-4-nitrobenzamide
SMILESCOc1ccc(CN(C(=O)c2ccc([N+](=O)[O-])cc2)C2CC2)cc1
InChIInChI=1S/C18H18N2O4/c1-24-17-10-2-13(3-11-17)12-19(15-8-9-15)18(21)14-4-6-16(7-5-14)20(22)23/h2-7,10-11,15H,8-9,12H2,1H3
InChIKeyYGFICXSPSWMRID-UHFFFAOYSA-N
MW326.35 g/mol
LogP3.41
Rot. Bonds6

About N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-4-nitrobenzamide

N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-4-nitrobenzamide (PubChem CID 9298236) has the molecular formula C18H18N2O4 and a molecular weight of 326.35 g/mol. Its IUPAC name is N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-4-nitrobenzamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[(4-methoxyphenyl)methyl]-4-nitrobenzamide
PubChem CID9298236
Molecular FormulaC18H18N2O4
Molecular Weight326.35 g/mol
Exact Mass326.13
IUPAC NameN-cyclopropyl-N-[(4-methoxyphenyl)methyl]-4-nitrobenzamide
SMILESCOc1ccc(CN(C(=O)c2ccc([N+](=O)[O-])cc2)C2CC2)cc1
InChIInChI=1S/C18H18N2O4/c1-24-17-10-2-13(3-11-17)12-19(15-8-9-15)18(21)14-4-6-16(7-5-14)20(22)23/h2-7,10-11,15H,8-9,12H2,1H3
InChIKeyYGFICXSPSWMRID-UHFFFAOYSA-N
XLogP3.41
TPSA72.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.35
LogP ≤ 53.41
H-Bond Donors ≤ 50
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-[3-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-3-oxopropyl]-4-nitrobenzamide
CID 9298690
N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-4-nitrobenzamide
CID 33078016
N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-1-(4-nitrophenyl)pyrazole-4-carboxamide
CID 55699690
N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-3-methyl-4-nitrobenzamide
CID 9298269
methyl 4-[cyclopropyl-[(4-methoxyphenyl)methyl]carbamoyl]benzoate
CID 9298633
4-(aminomethyl)-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]benzamide
CID 119272533
4-chloro-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]benzamide
CID 78811592
N-[(4-methoxyphenyl)methyl]-N-methyl-4-nitrobenzamide
CID 7925766
4-bromo-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-3-nitrobenzamide
CID 9298751
[4-[[cyclopropyl-(4-methoxybenzoyl)amino]methyl]phenyl] ethanesulfonate
CID 46110939
N-cyclopropyl-4-(dimethylsulfamoyl)-N-[(4-methoxyphenyl)methyl]benzamide
CID 9298439
N-cyclopropyl-4-ethoxy-N-[(4-methoxyphenyl)methyl]-3-nitrobenzamide
CID 9299408

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-4-nitrobenzamide?
The IUPAC name of N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-4-nitrobenzamide (CID 9298236) is N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-4-nitrobenzamide.
What is the SMILES notation for N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-4-nitrobenzamide?
The canonical SMILES for N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-4-nitrobenzamide is COc1ccc(CN(C(=O)c2ccc([N+](=O)[O-])cc2)C2CC2)cc1.
What is the InChIKey of N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-4-nitrobenzamide?
The InChIKey is YGFICXSPSWMRID-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O4/c1-24-17-10-2-13(3-11-17)12-19(15-8-9-15)18(21)14-4-6-16(7-5-14)20(22)23/h2-7,10-11,15H,8-9,12H2,1H3.
What are the key properties of N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-4-nitrobenzamide?
N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-4-nitrobenzamide has a molecular weight of 326.35 g/mol, XLogP of 3.41, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-4-nitrobenzamide is sourced from PubChem (CID 9298236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).