[1-(dibenzylamino)-1-oxopropan-2-yl] 2-phenylacetate

C25H25NO3 — CID 55319467

IUPAC[1-(dibenzylamino)-1-oxopropan-2-yl] 2-phenylacetate
SMILESCC(OC(=O)Cc1ccccc1)C(=O)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C25H25NO3/c1-20(29-24(27)17-21-11-5-2-6-12-21)25(28)26(18-22-13-7-3-8-14-22)19-23-15-9-4-10-16-23/h2-16,20H,17-19H2,1H3
InChIKeyUKAMTJGIPMNPEX-UHFFFAOYSA-N
MW387.48 g/mol
LogP4.39
Rot. Bonds8

About [1-(dibenzylamino)-1-oxopropan-2-yl] 2-phenylacetate

[1-(dibenzylamino)-1-oxopropan-2-yl] 2-phenylacetate (PubChem CID 55319467) has the molecular formula C25H25NO3 and a molecular weight of 387.48 g/mol. Its IUPAC name is [1-(dibenzylamino)-1-oxopropan-2-yl] 2-phenylacetate.

Molecular Properties

Compound Name[1-(dibenzylamino)-1-oxopropan-2-yl] 2-phenylacetate
PubChem CID55319467
Molecular FormulaC25H25NO3
Molecular Weight387.48 g/mol
Exact Mass387.18
IUPAC Name[1-(dibenzylamino)-1-oxopropan-2-yl] 2-phenylacetate
SMILESCC(OC(=O)Cc1ccccc1)C(=O)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C25H25NO3/c1-20(29-24(27)17-21-11-5-2-6-12-21)25(28)26(18-22-13-7-3-8-14-22)19-23-15-9-4-10-16-23/h2-16,20H,17-19H2,1H3
InChIKeyUKAMTJGIPMNPEX-UHFFFAOYSA-N
XLogP4.39
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[di(propan-2-yl)amino]-1-oxopropan-2-yl] 2-phenylacetate
CID 55417641
[(2R)-1-(dibenzylamino)-1-oxopropan-2-yl] 2-(2,4-dimethoxyphenyl)acetate
CID 31883866
[1-(dibenzylamino)-1-oxopropan-2-yl] 2-(3-methyl-4-oxophthalazin-1-yl)acetate
CID 55375576
[(2R)-1-(dibenzylamino)-1-oxopropan-2-yl] 4-hydroxybenzoate
CID 2624891
1-(dimethylamino)ethyl 2-phenylacetate
CID 88661320
[1-(dibenzylamino)-1-oxopropan-2-yl] 5-bromofuran-2-carboxylate
CID 16522527
[(2S)-1-(dibenzylamino)-1-oxopropan-2-yl] 5-methylthiophene-2-carboxylate
CID 2098366
oxophosphanium;propan-2-yl 2-phenylacetate
CID 159678340
1-bromoethyl 2-phenylacetate
CID 22386448
(2S)-N,N-dibenzyl-2-(2-methoxyphenoxy)propanamide
CID 40742883
[1-(dibenzylamino)-1-oxopropan-2-yl] 4-(difluoromethoxy)benzoate
CID 18274566
[(2S)-1-(dibenzylamino)-1-oxopropan-2-yl] 3,4,5-trimethoxybenzoate
CID 2572185

Frequently Asked Questions

What is the IUPAC name of [1-(dibenzylamino)-1-oxopropan-2-yl] 2-phenylacetate?
The IUPAC name of [1-(dibenzylamino)-1-oxopropan-2-yl] 2-phenylacetate (CID 55319467) is [1-(dibenzylamino)-1-oxopropan-2-yl] 2-phenylacetate.
What is the SMILES notation for [1-(dibenzylamino)-1-oxopropan-2-yl] 2-phenylacetate?
The canonical SMILES for [1-(dibenzylamino)-1-oxopropan-2-yl] 2-phenylacetate is CC(OC(=O)Cc1ccccc1)C(=O)N(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of [1-(dibenzylamino)-1-oxopropan-2-yl] 2-phenylacetate?
The InChIKey is UKAMTJGIPMNPEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25NO3/c1-20(29-24(27)17-21-11-5-2-6-12-21)25(28)26(18-22-13-7-3-8-14-22)19-23-15-9-4-10-16-23/h2-16,20H,17-19H2,1H3.
What are the key properties of [1-(dibenzylamino)-1-oxopropan-2-yl] 2-phenylacetate?
[1-(dibenzylamino)-1-oxopropan-2-yl] 2-phenylacetate has a molecular weight of 387.48 g/mol, XLogP of 4.39, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(dibenzylamino)-1-oxopropan-2-yl] 2-phenylacetate is sourced from PubChem (CID 55319467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).