[2-(3,3-diphenylpropylamino)-2-oxoethyl] 4-(hydroxymethyl)benzoate

C25H25NO4 — CID 7501846

IUPAC[2-(3,3-diphenylpropylamino)-2-oxoethyl] 4-(hydroxymethyl)benzoate
SMILESO=C(COC(=O)c1ccc(CO)cc1)NCCC(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H25NO4/c27-17-19-11-13-22(14-12-19)25(29)30-18-24(28)26-16-15-23(20-7-3-1-4-8-20)21-9-5-2-6-10-21/h1-14,23,27H,15-18H2,(H,26,28)
InChIKeyMNGSDLOFUKOXNF-UHFFFAOYSA-N
MW403.48 g/mol
LogP3.67
Rot. Bonds9

About [2-(3,3-diphenylpropylamino)-2-oxoethyl] 4-(hydroxymethyl)benzoate

[2-(3,3-diphenylpropylamino)-2-oxoethyl] 4-(hydroxymethyl)benzoate (PubChem CID 7501846) has the molecular formula C25H25NO4 and a molecular weight of 403.48 g/mol. Its IUPAC name is [2-(3,3-diphenylpropylamino)-2-oxoethyl] 4-(hydroxymethyl)benzoate.

Molecular Properties

Compound Name[2-(3,3-diphenylpropylamino)-2-oxoethyl] 4-(hydroxymethyl)benzoate
PubChem CID7501846
Molecular FormulaC25H25NO4
Molecular Weight403.48 g/mol
Exact Mass403.18
IUPAC Name[2-(3,3-diphenylpropylamino)-2-oxoethyl] 4-(hydroxymethyl)benzoate
SMILESO=C(COC(=O)c1ccc(CO)cc1)NCCC(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H25NO4/c27-17-19-11-13-22(14-12-19)25(29)30-18-24(28)26-16-15-23(20-7-3-1-4-8-20)21-9-5-2-6-10-21/h1-14,23,27H,15-18H2,(H,26,28)
InChIKeyMNGSDLOFUKOXNF-UHFFFAOYSA-N
XLogP3.67
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.48
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(benzylamino)-2-oxoethyl] 4-(hydroxymethyl)benzoate
CID 2538376
[2-oxo-2-(4-phenylbutan-2-ylamino)ethyl] 4-(hydroxymethyl)benzoate
CID 18777344
[2-(3,3-diphenylpropylamino)-2-oxoethyl] 1H-pyrrole-2-carboxylate
CID 8546573
[2-(3,3-diphenylpropylamino)-2-oxoethyl] 3-methylthiophene-2-carboxylate
CID 7835067
[2-oxo-2-(2-phenylethylamino)ethyl] 4-(2-methylpropyl)benzoate
CID 8538238
[2-[methyl(1-phenylethyl)amino]-2-oxoethyl] 4-(hydroxymethyl)benzoate
CID 46810880
[2-oxo-2-(2-phenylethylamino)ethyl] 4-chlorobenzoate
CID 2714989
trans-[2-(3,3-diphenylpropylamino)-2-oxoethyl] (1R,2R)-2-methylcyclopropane-1-carboxylate
CID 8019831
[2-[2-(4-chlorophenoxy)ethylamino]-2-oxoethyl] 4-(hydroxymethyl)benzoate
CID 8845463
3-amino-N-(3,3-diphenylpropyl)propanamide
CID 61260173
1-N,4-N-bis(3,3-diphenylpropyl)benzene-1,4-dicarboxamide
CID 5181795
[2-oxo-2-(2-phenylpropylamino)ethyl] 4-(acetamidomethyl)benzoate
CID 18195635

Frequently Asked Questions

What is the IUPAC name of [2-(3,3-diphenylpropylamino)-2-oxoethyl] 4-(hydroxymethyl)benzoate?
The IUPAC name of [2-(3,3-diphenylpropylamino)-2-oxoethyl] 4-(hydroxymethyl)benzoate (CID 7501846) is [2-(3,3-diphenylpropylamino)-2-oxoethyl] 4-(hydroxymethyl)benzoate.
What is the SMILES notation for [2-(3,3-diphenylpropylamino)-2-oxoethyl] 4-(hydroxymethyl)benzoate?
The canonical SMILES for [2-(3,3-diphenylpropylamino)-2-oxoethyl] 4-(hydroxymethyl)benzoate is O=C(COC(=O)c1ccc(CO)cc1)NCCC(c1ccccc1)c1ccccc1.
What is the InChIKey of [2-(3,3-diphenylpropylamino)-2-oxoethyl] 4-(hydroxymethyl)benzoate?
The InChIKey is MNGSDLOFUKOXNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25NO4/c27-17-19-11-13-22(14-12-19)25(29)30-18-24(28)26-16-15-23(20-7-3-1-4-8-20)21-9-5-2-6-10-21/h1-14,23,27H,15-18H2,(H,26,28).
What are the key properties of [2-(3,3-diphenylpropylamino)-2-oxoethyl] 4-(hydroxymethyl)benzoate?
[2-(3,3-diphenylpropylamino)-2-oxoethyl] 4-(hydroxymethyl)benzoate has a molecular weight of 403.48 g/mol, XLogP of 3.67, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,3-diphenylpropylamino)-2-oxoethyl] 4-(hydroxymethyl)benzoate is sourced from PubChem (CID 7501846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).