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

C24H23NO4 — CID 7477900

IUPAC[2-[benzyl(2-phenylethyl)amino]-2-oxoethyl] 4-hydroxybenzoate
SMILESO=C(OCC(=O)N(CCc1ccccc1)Cc1ccccc1)c1ccc(O)cc1
InChIInChI=1S/C24H23NO4/c26-22-13-11-21(12-14-22)24(28)29-18-23(27)25(17-20-9-5-2-6-10-20)16-15-19-7-3-1-4-8-19/h1-14,26H,15-18H2
InChIKeyJBZDWVCSVMCUSO-UHFFFAOYSA-N
MW389.45 g/mol
LogP3.82
Rot. Bonds8

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

[2-[benzyl(2-phenylethyl)amino]-2-oxoethyl] 4-hydroxybenzoate (PubChem CID 7477900) has the molecular formula C24H23NO4 and a molecular weight of 389.45 g/mol. Its IUPAC name is [2-[benzyl(2-phenylethyl)amino]-2-oxoethyl] 4-hydroxybenzoate.

Molecular Properties

Compound Name[2-[benzyl(2-phenylethyl)amino]-2-oxoethyl] 4-hydroxybenzoate
PubChem CID7477900
Molecular FormulaC24H23NO4
Molecular Weight389.45 g/mol
Exact Mass389.16
IUPAC Name[2-[benzyl(2-phenylethyl)amino]-2-oxoethyl] 4-hydroxybenzoate
SMILESO=C(OCC(=O)N(CCc1ccccc1)Cc1ccccc1)c1ccc(O)cc1
InChIInChI=1S/C24H23NO4/c26-22-13-11-21(12-14-22)24(28)29-18-23(27)25(17-20-9-5-2-6-10-20)16-15-19-7-3-1-4-8-19/h1-14,26H,15-18H2
InChIKeyJBZDWVCSVMCUSO-UHFFFAOYSA-N
XLogP3.82
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.45
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[benzyl(2-phenylethyl)amino]-2-oxoethyl] 4-methoxybenzoate
CID 7872740
[2-[benzyl(2-phenylethyl)amino]-2-oxoethyl] 4-cyanobenzoate
CID 2371757
[2-(dibenzylamino)-2-oxoethyl] 4-(2-oxo-2-phenylacetyl)benzoate
CID 2531997
benzyl-[2-(4-hydroxyphenyl)ethyl]carbamic acid
CID 142890889
[2-(dibenzylamino)-2-oxoethyl] 4-tert-butylbenzoate
CID 7891947
[2-[benzyl(2-phenylethyl)amino]-2-oxoethyl] 2,4,5-trimethoxybenzoate
CID 16528414
2-phenylethyl 4-hydroxybenzoate
CID 11977778
[2-[(5-methylthiophen-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl] 4-formylbenzoate
CID 9019787
[2-[benzyl(ethyl)amino]-2-oxoethyl] 4-pyrrol-1-ylbenzoate
CID 18197217
[2-[benzyl(2-methoxyethyl)amino]-2-oxoethyl] 4-acetamidobenzoate
CID 9015831
N-benzyl-3-phenyl-N-(2-phenylethyl)propanamide
CID 42775856
ethyl 4-hydroxybenzoate;propylbenzene
CID 174891390

Frequently Asked Questions

What is the IUPAC name of [2-[benzyl(2-phenylethyl)amino]-2-oxoethyl] 4-hydroxybenzoate?
The IUPAC name of [2-[benzyl(2-phenylethyl)amino]-2-oxoethyl] 4-hydroxybenzoate (CID 7477900) is [2-[benzyl(2-phenylethyl)amino]-2-oxoethyl] 4-hydroxybenzoate.
What is the SMILES notation for [2-[benzyl(2-phenylethyl)amino]-2-oxoethyl] 4-hydroxybenzoate?
The canonical SMILES for [2-[benzyl(2-phenylethyl)amino]-2-oxoethyl] 4-hydroxybenzoate is O=C(OCC(=O)N(CCc1ccccc1)Cc1ccccc1)c1ccc(O)cc1.
What is the InChIKey of [2-[benzyl(2-phenylethyl)amino]-2-oxoethyl] 4-hydroxybenzoate?
The InChIKey is JBZDWVCSVMCUSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NO4/c26-22-13-11-21(12-14-22)24(28)29-18-23(27)25(17-20-9-5-2-6-10-20)16-15-19-7-3-1-4-8-19/h1-14,26H,15-18H2.
What are the key properties of [2-[benzyl(2-phenylethyl)amino]-2-oxoethyl] 4-hydroxybenzoate?
[2-[benzyl(2-phenylethyl)amino]-2-oxoethyl] 4-hydroxybenzoate has a molecular weight of 389.45 g/mol, XLogP of 3.82, 8 rotatable bonds, 1 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-hydroxybenzoate is sourced from PubChem (CID 7477900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).