2-[methyl-[2-(4-nitrophenoxy)acetyl]amino]-N-(2-phenylethyl)benzamide

C24H23N3O5 — CID 4930550

IUPAC2-[methyl-[2-(4-nitrophenoxy)acetyl]amino]-N-(2-phenylethyl)benzamide
SMILESCN(C(=O)COc1ccc([N+](=O)[O-])cc1)c1ccccc1C(=O)NCCc1ccccc1
InChIInChI=1S/C24H23N3O5/c1-26(23(28)17-32-20-13-11-19(12-14-20)27(30)31)22-10-6-5-9-21(22)24(29)25-16-15-18-7-3-2-4-8-18/h2-14H,15-17H2,1H3,(H,25,29)
InChIKeyDMEMQPOJWWPSEL-UHFFFAOYSA-N
MW433.46 g/mol
LogP3.61
Rot. Bonds9

About 2-[methyl-[2-(4-nitrophenoxy)acetyl]amino]-N-(2-phenylethyl)benzamide

2-[methyl-[2-(4-nitrophenoxy)acetyl]amino]-N-(2-phenylethyl)benzamide (PubChem CID 4930550) has the molecular formula C24H23N3O5 and a molecular weight of 433.46 g/mol. Its IUPAC name is 2-[methyl-[2-(4-nitrophenoxy)acetyl]amino]-N-(2-phenylethyl)benzamide.

Molecular Properties

Compound Name2-[methyl-[2-(4-nitrophenoxy)acetyl]amino]-N-(2-phenylethyl)benzamide
PubChem CID4930550
Molecular FormulaC24H23N3O5
Molecular Weight433.46 g/mol
Exact Mass433.16
IUPAC Name2-[methyl-[2-(4-nitrophenoxy)acetyl]amino]-N-(2-phenylethyl)benzamide
SMILESCN(C(=O)COc1ccc([N+](=O)[O-])cc1)c1ccccc1C(=O)NCCc1ccccc1
InChIInChI=1S/C24H23N3O5/c1-26(23(28)17-32-20-13-11-19(12-14-20)27(30)31)22-10-6-5-9-21(22)24(29)25-16-15-18-7-3-2-4-8-18/h2-14H,15-17H2,1H3,(H,25,29)
InChIKeyDMEMQPOJWWPSEL-UHFFFAOYSA-N
XLogP3.61
TPSA101.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.46
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-[methyl-[2-(4-nitrophenoxy)acetyl]amino]-N-(2-phenylethyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[2-(2,6-dimethylphenoxy)acetyl]-methylamino]-N-(2-phenylethyl)benzamide
CID 4930468
N-[2-(4-nitrophenyl)ethyl]-2-phenoxyacetamide
CID 19166772
4-chloro-N-methyl-3-nitro-N-[2-(2-phenylethylcarbamoyl)phenyl]benzamide
CID 4930557
2-[methyl-(2-naphthalen-1-ylacetyl)amino]-N-(2-phenylethyl)benzamide
CID 4930560
N-benzyl-2-(4-nitrophenoxy)-N-phenylacetamide
CID 41161693
2-(4-nitrophenoxy)-N-[(2R)-4-phenylbutan-2-yl]acetamide
CID 2632338
N-benzyl-2-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]-methylamino]benzamide
CID 4930793
2-[(3-butoxybenzoyl)-methylamino]-N-(2-phenylethyl)benzamide
CID 4956550
N-[3-(2-fluoro-N-methylanilino)propyl]-2-(4-nitrophenoxy)acetamide
CID 55907894
2-[[2-(4-ethoxyphenoxy)acetyl]amino]-N-(2-phenylethyl)benzamide
CID 29446930
2-[benzoylcarbamothioyl(methyl)amino]-N-(2-phenylethyl)benzamide
CID 4930713
N-benzyl-2-[methyl(3-phenylpropanoyl)amino]benzamide
CID 3609594

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[2-(4-nitrophenoxy)acetyl]amino]-N-(2-phenylethyl)benzamide?
The IUPAC name of 2-[methyl-[2-(4-nitrophenoxy)acetyl]amino]-N-(2-phenylethyl)benzamide (CID 4930550) is 2-[methyl-[2-(4-nitrophenoxy)acetyl]amino]-N-(2-phenylethyl)benzamide.
What is the SMILES notation for 2-[methyl-[2-(4-nitrophenoxy)acetyl]amino]-N-(2-phenylethyl)benzamide?
The canonical SMILES for 2-[methyl-[2-(4-nitrophenoxy)acetyl]amino]-N-(2-phenylethyl)benzamide is CN(C(=O)COc1ccc([N+](=O)[O-])cc1)c1ccccc1C(=O)NCCc1ccccc1.
What is the InChIKey of 2-[methyl-[2-(4-nitrophenoxy)acetyl]amino]-N-(2-phenylethyl)benzamide?
The InChIKey is DMEMQPOJWWPSEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O5/c1-26(23(28)17-32-20-13-11-19(12-14-20)27(30)31)22-10-6-5-9-21(22)24(29)25-16-15-18-7-3-2-4-8-18/h2-14H,15-17H2,1H3,(H,25,29).
What are the key properties of 2-[methyl-[2-(4-nitrophenoxy)acetyl]amino]-N-(2-phenylethyl)benzamide?
2-[methyl-[2-(4-nitrophenoxy)acetyl]amino]-N-(2-phenylethyl)benzamide has a molecular weight of 433.46 g/mol, XLogP of 3.61, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[2-(4-nitrophenoxy)acetyl]amino]-N-(2-phenylethyl)benzamide is sourced from PubChem (CID 4930550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).