[2-[benzyl(2-phenylethyl)amino]-2-oxoethyl] 4-methoxybenzoate

C25H25NO4 — CID 7872740

IUPAC[2-[benzyl(2-phenylethyl)amino]-2-oxoethyl] 4-methoxybenzoate
SMILESCOc1ccc(C(=O)OCC(=O)N(CCc2ccccc2)Cc2ccccc2)cc1
InChIInChI=1S/C25H25NO4/c1-29-23-14-12-22(13-15-23)25(28)30-19-24(27)26(18-21-10-6-3-7-11-21)17-16-20-8-4-2-5-9-20/h2-15H,16-19H2,1H3
InChIKeyIRPIQKKIHVBGBW-UHFFFAOYSA-N
MW403.48 g/mol
LogP4.12
Rot. Bonds9

About [2-[benzyl(2-phenylethyl)amino]-2-oxoethyl] 4-methoxybenzoate

[2-[benzyl(2-phenylethyl)amino]-2-oxoethyl] 4-methoxybenzoate (PubChem CID 7872740) has the molecular formula C25H25NO4 and a molecular weight of 403.48 g/mol. Its IUPAC name is [2-[benzyl(2-phenylethyl)amino]-2-oxoethyl] 4-methoxybenzoate.

Molecular Properties

Compound Name[2-[benzyl(2-phenylethyl)amino]-2-oxoethyl] 4-methoxybenzoate
PubChem CID7872740
Molecular FormulaC25H25NO4
Molecular Weight403.48 g/mol
Exact Mass403.18
IUPAC Name[2-[benzyl(2-phenylethyl)amino]-2-oxoethyl] 4-methoxybenzoate
SMILESCOc1ccc(C(=O)OCC(=O)N(CCc2ccccc2)Cc2ccccc2)cc1
InChIInChI=1S/C25H25NO4/c1-29-23-14-12-22(13-15-23)25(28)30-19-24(27)26(18-21-10-6-3-7-11-21)17-16-20-8-4-2-5-9-20/h2-15H,16-19H2,1H3
InChIKeyIRPIQKKIHVBGBW-UHFFFAOYSA-N
XLogP4.12
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.48
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[benzyl(2-phenylethyl)amino]-2-oxoethyl] 4-hydroxybenzoate
CID 7477900
[2-[benzyl(2-phenylethyl)amino]-2-oxoethyl] 4-cyanobenzoate
CID 2371757
[2-[benzyl(2-phenylethyl)amino]-2-oxoethyl] 2,4,5-trimethoxybenzoate
CID 16528414
[2-(dibenzylamino)-2-oxoethyl] 4-(2-oxo-2-phenylacetyl)benzoate
CID 2531997
4-amino-N-benzyl-N-[2-(4-methoxyphenyl)ethyl]pentanamide
CID 120562136
[2-[benzyl(ethyl)amino]-2-oxoethyl] 3,5-dimethoxybenzoate
CID 18073894
[2-(dibenzylamino)-2-oxoethyl] 4-tert-butylbenzoate
CID 7891947
[2-[benzyl(2-methoxyethyl)amino]-2-oxoethyl] 4-acetamidobenzoate
CID 9015831
N-benzyl-2-(3-methoxyphenyl)-N-(2-phenylethyl)acetamide
CID 55331004
[2-[benzyl-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]amino]-2-oxoethyl] 4-methoxybenzoate
CID 9011170
[2-[benzyl(2-phenylethyl)amino]-2-oxoethyl] 4-methoxy-3-morpholin-4-ylsulfonylbenzoate
CID 4565875
[2-[benzyl(ethyl)amino]-2-oxoethyl] 4-pyrrol-1-ylbenzoate
CID 18197217

Frequently Asked Questions

What is the IUPAC name of [2-[benzyl(2-phenylethyl)amino]-2-oxoethyl] 4-methoxybenzoate?
The IUPAC name of [2-[benzyl(2-phenylethyl)amino]-2-oxoethyl] 4-methoxybenzoate (CID 7872740) is [2-[benzyl(2-phenylethyl)amino]-2-oxoethyl] 4-methoxybenzoate.
What is the SMILES notation for [2-[benzyl(2-phenylethyl)amino]-2-oxoethyl] 4-methoxybenzoate?
The canonical SMILES for [2-[benzyl(2-phenylethyl)amino]-2-oxoethyl] 4-methoxybenzoate is COc1ccc(C(=O)OCC(=O)N(CCc2ccccc2)Cc2ccccc2)cc1.
What is the InChIKey of [2-[benzyl(2-phenylethyl)amino]-2-oxoethyl] 4-methoxybenzoate?
The InChIKey is IRPIQKKIHVBGBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25NO4/c1-29-23-14-12-22(13-15-23)25(28)30-19-24(27)26(18-21-10-6-3-7-11-21)17-16-20-8-4-2-5-9-20/h2-15H,16-19H2,1H3.
What are the key properties of [2-[benzyl(2-phenylethyl)amino]-2-oxoethyl] 4-methoxybenzoate?
[2-[benzyl(2-phenylethyl)amino]-2-oxoethyl] 4-methoxybenzoate has a molecular weight of 403.48 g/mol, XLogP of 4.12, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[benzyl(2-phenylethyl)amino]-2-oxoethyl] 4-methoxybenzoate is sourced from PubChem (CID 7872740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).