N-[2-[2-[[2-(4-methylphenoxy)acetyl]amino]ethylamino]-2-oxoethyl]benzamide

C20H23N3O4 — CID 108539308

IUPACN-[2-[2-[[2-(4-methylphenoxy)acetyl]amino]ethylamino]-2-oxoethyl]benzamide
SMILESCc1ccc(OCC(=O)NCCNC(=O)CNC(=O)c2ccccc2)cc1
InChIInChI=1S/C20H23N3O4/c1-15-7-9-17(10-8-15)27-14-19(25)22-12-11-21-18(24)13-23-20(26)16-5-3-2-4-6-16/h2-10H,11-14H2,1H3,(H,21,24)(H,22,25)(H,23,26)
InChIKeyCAJPYNRHRRVDEY-UHFFFAOYSA-N
MW369.42 g/mol
LogP1.04
Rot. Bonds9

About N-[2-[2-[[2-(4-methylphenoxy)acetyl]amino]ethylamino]-2-oxoethyl]benzamide

N-[2-[2-[[2-(4-methylphenoxy)acetyl]amino]ethylamino]-2-oxoethyl]benzamide (PubChem CID 108539308) has the molecular formula C20H23N3O4 and a molecular weight of 369.42 g/mol. Its IUPAC name is N-[2-[2-[[2-(4-methylphenoxy)acetyl]amino]ethylamino]-2-oxoethyl]benzamide.

Molecular Properties

Compound NameN-[2-[2-[[2-(4-methylphenoxy)acetyl]amino]ethylamino]-2-oxoethyl]benzamide
PubChem CID108539308
Molecular FormulaC20H23N3O4
Molecular Weight369.42 g/mol
Exact Mass369.17
IUPAC NameN-[2-[2-[[2-(4-methylphenoxy)acetyl]amino]ethylamino]-2-oxoethyl]benzamide
SMILESCc1ccc(OCC(=O)NCCNC(=O)CNC(=O)c2ccccc2)cc1
InChIInChI=1S/C20H23N3O4/c1-15-7-9-17(10-8-15)27-14-19(25)22-12-11-21-18(24)13-23-20(26)16-5-3-2-4-6-16/h2-10H,11-14H2,1H3,(H,21,24)(H,22,25)(H,23,26)
InChIKeyCAJPYNRHRRVDEY-UHFFFAOYSA-N
XLogP1.04
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 51.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[2-[2-[[2-(4-methylphenoxy)acetyl]amino]ethylamino]-2-oxoethyl]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

4-methyl-N-[2-[(2-phenoxyacetyl)amino]ethyl]benzamide
CID 4615382
N-[2-[[2-(4-methylphenoxy)acetyl]amino]ethyl]-4-phenylbenzamide
CID 108538441
4-methoxy-N-[2-[[2-(4-methylphenoxy)acetyl]amino]ethyl]benzamide
CID 108537866
N-[2-[[2-(4-methylphenoxy)acetyl]amino]ethyl]pyridine-4-carboxamide
CID 2985213
N-[2-[2-[[2-(4-ethoxyphenyl)acetyl]amino]ethylamino]-2-oxoethyl]benzamide
CID 108539279
N-(3-methoxypropyl)-2-[[2-(4-methylphenoxy)acetyl]amino]acetamide
CID 112991225
4-ethoxy-N-[2-[2-(4-methylphenoxy)ethylamino]-2-oxoethyl]benzamide
CID 9366137
ethyl [4-[2-[[2-(4-methylphenoxy)acetyl]amino]ethylcarbamoyl]phenyl] carbonate
CID 108929834
2-[[2-(4-phenylphenoxy)acetyl]amino]-N-propylacetamide
CID 9163146
4-tert-butyl-N-[2-[(2-phenoxyacetyl)amino]ethyl]benzamide
CID 108541991
6-methyl-N-[2-[[2-(4-methylphenoxy)acetyl]amino]ethyl]pyridine-3-carboxamide
CID 6498628
N-[2-(2-methoxyphenyl)ethyl]-2-[[2-(4-methylphenoxy)acetyl]amino]acetamide
CID 112993472

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[[2-(4-methylphenoxy)acetyl]amino]ethylamino]-2-oxoethyl]benzamide?
The IUPAC name of N-[2-[2-[[2-(4-methylphenoxy)acetyl]amino]ethylamino]-2-oxoethyl]benzamide (CID 108539308) is N-[2-[2-[[2-(4-methylphenoxy)acetyl]amino]ethylamino]-2-oxoethyl]benzamide.
What is the SMILES notation for N-[2-[2-[[2-(4-methylphenoxy)acetyl]amino]ethylamino]-2-oxoethyl]benzamide?
The canonical SMILES for N-[2-[2-[[2-(4-methylphenoxy)acetyl]amino]ethylamino]-2-oxoethyl]benzamide is Cc1ccc(OCC(=O)NCCNC(=O)CNC(=O)c2ccccc2)cc1.
What is the InChIKey of N-[2-[2-[[2-(4-methylphenoxy)acetyl]amino]ethylamino]-2-oxoethyl]benzamide?
The InChIKey is CAJPYNRHRRVDEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O4/c1-15-7-9-17(10-8-15)27-14-19(25)22-12-11-21-18(24)13-23-20(26)16-5-3-2-4-6-16/h2-10H,11-14H2,1H3,(H,21,24)(H,22,25)(H,23,26).
What are the key properties of N-[2-[2-[[2-(4-methylphenoxy)acetyl]amino]ethylamino]-2-oxoethyl]benzamide?
N-[2-[2-[[2-(4-methylphenoxy)acetyl]amino]ethylamino]-2-oxoethyl]benzamide has a molecular weight of 369.42 g/mol, XLogP of 1.04, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[[2-(4-methylphenoxy)acetyl]amino]ethylamino]-2-oxoethyl]benzamide is sourced from PubChem (CID 108539308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).