N-[(4-methoxyphenyl)methyl]-N-[2-(4-nitrophenyl)ethyl]benzamide

C23H22N2O4 — CID 10938001

IUPACN-[(4-methoxyphenyl)methyl]-N-[2-(4-nitrophenyl)ethyl]benzamide
SMILESCOc1ccc(CN(CCc2ccc([N+](=O)[O-])cc2)C(=O)c2ccccc2)cc1
InChIInChI=1S/C23H22N2O4/c1-29-22-13-9-19(10-14-22)17-24(23(26)20-5-3-2-4-6-20)16-15-18-7-11-21(12-8-18)25(27)28/h2-14H,15-17H2,1H3
InChIKeyUYOVBWHTAHOVQX-UHFFFAOYSA-N
MW390.44 g/mol
LogP4.49
Rot. Bonds8

About N-[(4-methoxyphenyl)methyl]-N-[2-(4-nitrophenyl)ethyl]benzamide

N-[(4-methoxyphenyl)methyl]-N-[2-(4-nitrophenyl)ethyl]benzamide (PubChem CID 10938001) has the molecular formula C23H22N2O4 and a molecular weight of 390.44 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-N-[2-(4-nitrophenyl)ethyl]benzamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-N-[2-(4-nitrophenyl)ethyl]benzamide
PubChem CID10938001
Molecular FormulaC23H22N2O4
Molecular Weight390.44 g/mol
Exact Mass390.16
IUPAC NameN-[(4-methoxyphenyl)methyl]-N-[2-(4-nitrophenyl)ethyl]benzamide
SMILESCOc1ccc(CN(CCc2ccc([N+](=O)[O-])cc2)C(=O)c2ccccc2)cc1
InChIInChI=1S/C23H22N2O4/c1-29-22-13-9-19(10-14-22)17-24(23(26)20-5-3-2-4-6-20)16-15-18-7-11-21(12-8-18)25(27)28/h2-14H,15-17H2,1H3
InChIKeyUYOVBWHTAHOVQX-UHFFFAOYSA-N
XLogP4.49
TPSA72.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 54.49
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-benzyl-4-nitro-N-(2-phenylethyl)benzamide
CID 26881227
N-[(4-methoxyphenyl)methyl]-N-methyl-4-nitrobenzamide
CID 7925766
2-[4-[[(4-nitrobenzoyl)-(2-phenylethyl)amino]methyl]phenyl]benzoic acid
CID 66773989
2-[(4-methoxyphenyl)methyl-[2-(4-nitrophenyl)acetyl]amino]acetic acid
CID 174174199
N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-4-nitrobenzamide
CID 9298236
4-nitro-N-(2-phenylethyl)-N-(pyridin-2-ylmethyl)benzamide
CID 121084464
ethyl N-[2-(4-nitrophenyl)ethyl]-N-[(4-nitrophenyl)methyl]carbamate
CID 118047998
2-[(4-methoxyphenyl)-[(4-nitrophenyl)methyl]carbamoyl]benzoic acid
CID 23850978
N-benzyl-N-(2-bromoethyl)-4-methoxybenzamide
CID 80656055
N-benzyl-N-(6-methoxy-1,3-benzothiazol-2-yl)-4-nitrobenzamide
CID 41110198
N-benzyl-3-(3-methoxyphenyl)-1-(3-nitrophenyl)-N-(2-phenylethyl)pyrazole-5-carboxamide
CID 4031267
N,N-dibenzyl-2-(4-nitrophenyl)ethanamine
CID 11057117

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-N-[2-(4-nitrophenyl)ethyl]benzamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-N-[2-(4-nitrophenyl)ethyl]benzamide (CID 10938001) is N-[(4-methoxyphenyl)methyl]-N-[2-(4-nitrophenyl)ethyl]benzamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-N-[2-(4-nitrophenyl)ethyl]benzamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-N-[2-(4-nitrophenyl)ethyl]benzamide is COc1ccc(CN(CCc2ccc([N+](=O)[O-])cc2)C(=O)c2ccccc2)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-N-[2-(4-nitrophenyl)ethyl]benzamide?
The InChIKey is UYOVBWHTAHOVQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O4/c1-29-22-13-9-19(10-14-22)17-24(23(26)20-5-3-2-4-6-20)16-15-18-7-11-21(12-8-18)25(27)28/h2-14H,15-17H2,1H3.
What are the key properties of N-[(4-methoxyphenyl)methyl]-N-[2-(4-nitrophenyl)ethyl]benzamide?
N-[(4-methoxyphenyl)methyl]-N-[2-(4-nitrophenyl)ethyl]benzamide has a molecular weight of 390.44 g/mol, XLogP of 4.49, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-N-[2-(4-nitrophenyl)ethyl]benzamide is sourced from PubChem (CID 10938001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).