N-benzyl-2-[benzyl(methyl)amino]-N-(4-nitrophenyl)acetamide

C23H23N3O3 — CID 23507484

IUPACN-benzyl-2-[benzyl(methyl)amino]-N-(4-nitrophenyl)acetamide
SMILESCN(CC(=O)N(Cc1ccccc1)c1ccc([N+](=O)[O-])cc1)Cc1ccccc1
InChIInChI=1S/C23H23N3O3/c1-24(16-19-8-4-2-5-9-19)18-23(27)25(17-20-10-6-3-7-11-20)21-12-14-22(15-13-21)26(28)29/h2-15H,16-18H2,1H3
InChIKeyRKQPALYUCVLYGN-UHFFFAOYSA-N
MW389.46 g/mol
LogP4.26
Rot. Bonds8

About N-benzyl-2-[benzyl(methyl)amino]-N-(4-nitrophenyl)acetamide

N-benzyl-2-[benzyl(methyl)amino]-N-(4-nitrophenyl)acetamide (PubChem CID 23507484) has the molecular formula C23H23N3O3 and a molecular weight of 389.46 g/mol. Its IUPAC name is N-benzyl-2-[benzyl(methyl)amino]-N-(4-nitrophenyl)acetamide.

Molecular Properties

Compound NameN-benzyl-2-[benzyl(methyl)amino]-N-(4-nitrophenyl)acetamide
PubChem CID23507484
Molecular FormulaC23H23N3O3
Molecular Weight389.46 g/mol
Exact Mass389.17
IUPAC NameN-benzyl-2-[benzyl(methyl)amino]-N-(4-nitrophenyl)acetamide
SMILESCN(CC(=O)N(Cc1ccccc1)c1ccc([N+](=O)[O-])cc1)Cc1ccccc1
InChIInChI=1S/C23H23N3O3/c1-24(16-19-8-4-2-5-9-19)18-23(27)25(17-20-10-6-3-7-11-20)21-12-14-22(15-13-21)26(28)29/h2-15H,16-18H2,1H3
InChIKeyRKQPALYUCVLYGN-UHFFFAOYSA-N
XLogP4.26
TPSA66.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 54.26
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-N-(4-nitrophenyl)-4-oxohexanamide
CID 19863365
2-[[2-(N-benzylanilino)-2-oxoethyl]-methylamino]-N,N-dimethylacetamide
CID 134045987
N-benzyl-2-(4-nitrophenoxy)-N-phenylacetamide
CID 41161693
N-benzyl-2-[cyanomethyl(methyl)amino]-N-phenylacetamide
CID 60617067
benzene-1,2-diol;N-methyl-N-[(4-nitrophenyl)methyl]ethanamine
CID 174445596
2-[benzyl(methyl)amino]-N-(2-chloro-4-nitrophenyl)acetamide
CID 8901305
N-benzyl-2-(4-nitropyrazol-1-yl)-N-phenylacetamide
CID 2982830
N-benzyl-N-[(4-nitrophenyl)methyl]-1-phenylmethanamine
CID 23507092
3-O-[2-(N-benzylanilino)-2-oxoethyl] 1-O-ethyl 5-nitrobenzene-1,3-dicarboxylate
CID 41198475
2-[(4-methoxyphenyl)-[(4-nitrophenyl)methyl]carbamoyl]benzoic acid
CID 23850978
benzyl N-methyl-N-(4-nitrophenyl)carbamate
CID 102148526
N-benzyl-2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]-N-phenylacetamide
CID 86855956

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[benzyl(methyl)amino]-N-(4-nitrophenyl)acetamide?
The IUPAC name of N-benzyl-2-[benzyl(methyl)amino]-N-(4-nitrophenyl)acetamide (CID 23507484) is N-benzyl-2-[benzyl(methyl)amino]-N-(4-nitrophenyl)acetamide.
What is the SMILES notation for N-benzyl-2-[benzyl(methyl)amino]-N-(4-nitrophenyl)acetamide?
The canonical SMILES for N-benzyl-2-[benzyl(methyl)amino]-N-(4-nitrophenyl)acetamide is CN(CC(=O)N(Cc1ccccc1)c1ccc([N+](=O)[O-])cc1)Cc1ccccc1.
What is the InChIKey of N-benzyl-2-[benzyl(methyl)amino]-N-(4-nitrophenyl)acetamide?
The InChIKey is RKQPALYUCVLYGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O3/c1-24(16-19-8-4-2-5-9-19)18-23(27)25(17-20-10-6-3-7-11-20)21-12-14-22(15-13-21)26(28)29/h2-15H,16-18H2,1H3.
What are the key properties of N-benzyl-2-[benzyl(methyl)amino]-N-(4-nitrophenyl)acetamide?
N-benzyl-2-[benzyl(methyl)amino]-N-(4-nitrophenyl)acetamide has a molecular weight of 389.46 g/mol, XLogP of 4.26, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[benzyl(methyl)amino]-N-(4-nitrophenyl)acetamide is sourced from PubChem (CID 23507484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).