4-methyl-N-[2-[(2-phenoxyacetyl)amino]ethyl]benzamide

C18H20N2O3 — CID 4615382

IUPAC4-methyl-N-[2-[(2-phenoxyacetyl)amino]ethyl]benzamide
SMILESCc1ccc(C(=O)NCCNC(=O)COc2ccccc2)cc1
InChIInChI=1S/C18H20N2O3/c1-14-7-9-15(10-8-14)18(22)20-12-11-19-17(21)13-23-16-5-3-2-4-6-16/h2-10H,11-13H2,1H3,(H,19,21)(H,20,22)
InChIKeyPFQKBWLEJBMSBB-UHFFFAOYSA-N
MW312.37 g/mol
LogP1.92
Rot. Bonds7

About 4-methyl-N-[2-[(2-phenoxyacetyl)amino]ethyl]benzamide

4-methyl-N-[2-[(2-phenoxyacetyl)amino]ethyl]benzamide (PubChem CID 4615382) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is 4-methyl-N-[2-[(2-phenoxyacetyl)amino]ethyl]benzamide.

Molecular Properties

Compound Name4-methyl-N-[2-[(2-phenoxyacetyl)amino]ethyl]benzamide
PubChem CID4615382
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC Name4-methyl-N-[2-[(2-phenoxyacetyl)amino]ethyl]benzamide
SMILESCc1ccc(C(=O)NCCNC(=O)COc2ccccc2)cc1
InChIInChI=1S/C18H20N2O3/c1-14-7-9-15(10-8-14)18(22)20-12-11-19-17(21)13-23-16-5-3-2-4-6-16/h2-10H,11-13H2,1H3,(H,19,21)(H,20,22)
InChIKeyPFQKBWLEJBMSBB-UHFFFAOYSA-N
XLogP1.92
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[[2-(4-methylphenoxy)acetyl]amino]ethyl]-4-phenylbenzamide
CID 108538441
N-[2-[2-[[2-(4-methylphenoxy)acetyl]amino]ethylamino]-2-oxoethyl]benzamide
CID 108539308
4-methoxy-N-[2-[[2-(4-methylphenoxy)acetyl]amino]ethyl]benzamide
CID 108537866
4-tert-butyl-N-[2-[(2-phenoxyacetyl)amino]ethyl]benzamide
CID 108541991
4-bromo-N-[2-[(2-phenoxyacetyl)amino]ethyl]benzamide
CID 38611489
ethyl [4-[2-[(2-phenoxyacetyl)amino]ethylcarbamoyl]phenyl] carbonate
CID 108929821
N-[2-[[2-(4-methylphenoxy)acetyl]amino]ethyl]pyridine-4-carboxamide
CID 2985213
ethyl [4-[2-[[2-(4-methylphenoxy)acetyl]amino]ethylcarbamoyl]phenyl] carbonate
CID 108929834
6-methyl-N-[2-[[2-(4-methylphenoxy)acetyl]amino]ethyl]pyridine-3-carboxamide
CID 6498628
3-(4-methylphenyl)-N-[2-[(2-phenoxyacetyl)amino]ethyl]-1,2,4-oxadiazole-5-carboxamide
CID 17083485
N-[2-(4-methylphenyl)sulfanylethyl]-2-phenoxyacetamide
CID 3117798
N-[2-[(2-aminoacetyl)amino]ethyl]-4-methylbenzamide
CID 54880610

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[2-[(2-phenoxyacetyl)amino]ethyl]benzamide?
The IUPAC name of 4-methyl-N-[2-[(2-phenoxyacetyl)amino]ethyl]benzamide (CID 4615382) is 4-methyl-N-[2-[(2-phenoxyacetyl)amino]ethyl]benzamide.
What is the SMILES notation for 4-methyl-N-[2-[(2-phenoxyacetyl)amino]ethyl]benzamide?
The canonical SMILES for 4-methyl-N-[2-[(2-phenoxyacetyl)amino]ethyl]benzamide is Cc1ccc(C(=O)NCCNC(=O)COc2ccccc2)cc1.
What is the InChIKey of 4-methyl-N-[2-[(2-phenoxyacetyl)amino]ethyl]benzamide?
The InChIKey is PFQKBWLEJBMSBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-14-7-9-15(10-8-14)18(22)20-12-11-19-17(21)13-23-16-5-3-2-4-6-16/h2-10H,11-13H2,1H3,(H,19,21)(H,20,22).
What are the key properties of 4-methyl-N-[2-[(2-phenoxyacetyl)amino]ethyl]benzamide?
4-methyl-N-[2-[(2-phenoxyacetyl)amino]ethyl]benzamide has a molecular weight of 312.37 g/mol, XLogP of 1.92, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[2-[(2-phenoxyacetyl)amino]ethyl]benzamide is sourced from PubChem (CID 4615382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).