N-[2-[[2-(4-methylphenoxy)acetyl]amino]ethyl]-4-phenylbenzamide

C24H24N2O3 — CID 108538441

IUPACN-[2-[[2-(4-methylphenoxy)acetyl]amino]ethyl]-4-phenylbenzamide
SMILESCc1ccc(OCC(=O)NCCNC(=O)c2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C24H24N2O3/c1-18-7-13-22(14-8-18)29-17-23(27)25-15-16-26-24(28)21-11-9-20(10-12-21)19-5-3-2-4-6-19/h2-14H,15-17H2,1H3,(H,25,27)(H,26,28)
InChIKeyIHXWOGIXMMLNHH-UHFFFAOYSA-N
MW388.47 g/mol
LogP3.59
Rot. Bonds8

About N-[2-[[2-(4-methylphenoxy)acetyl]amino]ethyl]-4-phenylbenzamide

N-[2-[[2-(4-methylphenoxy)acetyl]amino]ethyl]-4-phenylbenzamide (PubChem CID 108538441) has the molecular formula C24H24N2O3 and a molecular weight of 388.47 g/mol. Its IUPAC name is N-[2-[[2-(4-methylphenoxy)acetyl]amino]ethyl]-4-phenylbenzamide.

Molecular Properties

Compound NameN-[2-[[2-(4-methylphenoxy)acetyl]amino]ethyl]-4-phenylbenzamide
PubChem CID108538441
Molecular FormulaC24H24N2O3
Molecular Weight388.47 g/mol
Exact Mass388.18
IUPAC NameN-[2-[[2-(4-methylphenoxy)acetyl]amino]ethyl]-4-phenylbenzamide
SMILESCc1ccc(OCC(=O)NCCNC(=O)c2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C24H24N2O3/c1-18-7-13-22(14-8-18)29-17-23(27)25-15-16-26-24(28)21-11-9-20(10-12-21)19-5-3-2-4-6-19/h2-14H,15-17H2,1H3,(H,25,27)(H,26,28)
InChIKeyIHXWOGIXMMLNHH-UHFFFAOYSA-N
XLogP3.59
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 53.59
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

4-methyl-N-[2-[(2-phenoxyacetyl)amino]ethyl]benzamide
CID 4615382
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
N-[2-[[2-(4-methylphenoxy)acetyl]amino]ethyl]pyridine-4-carboxamide
CID 2985213
4-tert-butyl-N-[2-[(2-phenoxyacetyl)amino]ethyl]benzamide
CID 108541991
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
ethyl [4-[2-[(2-phenoxyacetyl)amino]ethylcarbamoyl]phenyl] carbonate
CID 108929821
4-bromo-N-[2-[(2-phenoxyacetyl)amino]ethyl]benzamide
CID 38611489
3-(4-methylphenyl)-N-[2-[(2-phenoxyacetyl)amino]ethyl]-1,2,4-oxadiazole-5-carboxamide
CID 17083485
2-[[2-(4-phenylphenoxy)acetyl]amino]-N-propylacetamide
CID 9163146
N-benzyl-4-[[2-(4-methylphenoxy)acetyl]amino]benzamide
CID 28639871

Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-(4-methylphenoxy)acetyl]amino]ethyl]-4-phenylbenzamide?
The IUPAC name of N-[2-[[2-(4-methylphenoxy)acetyl]amino]ethyl]-4-phenylbenzamide (CID 108538441) is N-[2-[[2-(4-methylphenoxy)acetyl]amino]ethyl]-4-phenylbenzamide.
What is the SMILES notation for N-[2-[[2-(4-methylphenoxy)acetyl]amino]ethyl]-4-phenylbenzamide?
The canonical SMILES for N-[2-[[2-(4-methylphenoxy)acetyl]amino]ethyl]-4-phenylbenzamide is Cc1ccc(OCC(=O)NCCNC(=O)c2ccc(-c3ccccc3)cc2)cc1.
What is the InChIKey of N-[2-[[2-(4-methylphenoxy)acetyl]amino]ethyl]-4-phenylbenzamide?
The InChIKey is IHXWOGIXMMLNHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O3/c1-18-7-13-22(14-8-18)29-17-23(27)25-15-16-26-24(28)21-11-9-20(10-12-21)19-5-3-2-4-6-19/h2-14H,15-17H2,1H3,(H,25,27)(H,26,28).
What are the key properties of N-[2-[[2-(4-methylphenoxy)acetyl]amino]ethyl]-4-phenylbenzamide?
N-[2-[[2-(4-methylphenoxy)acetyl]amino]ethyl]-4-phenylbenzamide has a molecular weight of 388.47 g/mol, XLogP of 3.59, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-(4-methylphenoxy)acetyl]amino]ethyl]-4-phenylbenzamide is sourced from PubChem (CID 108538441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).