[1-(benzylamino)-3-methyl-1-oxobutan-2-yl] 2-phenylacetate

C20H23NO3 — CID 134865805

IUPAC[1-(benzylamino)-3-methyl-1-oxobutan-2-yl] 2-phenylacetate
SMILESCC(C)C(OC(=O)Cc1ccccc1)C(=O)NCc1ccccc1
InChIInChI=1S/C20H23NO3/c1-15(2)19(20(23)21-14-17-11-7-4-8-12-17)24-18(22)13-16-9-5-3-6-10-16/h3-12,15,19H,13-14H2,1-2H3,(H,21,23)
InChIKeyZGOCKCLUXUKHJS-UHFFFAOYSA-N
MW325.41 g/mol
LogP3.11
Rot. Bonds7

About [1-(benzylamino)-3-methyl-1-oxobutan-2-yl] 2-phenylacetate

[1-(benzylamino)-3-methyl-1-oxobutan-2-yl] 2-phenylacetate (PubChem CID 134865805) has the molecular formula C20H23NO3 and a molecular weight of 325.41 g/mol. Its IUPAC name is [1-(benzylamino)-3-methyl-1-oxobutan-2-yl] 2-phenylacetate.

Molecular Properties

Compound Name[1-(benzylamino)-3-methyl-1-oxobutan-2-yl] 2-phenylacetate
PubChem CID134865805
Molecular FormulaC20H23NO3
Molecular Weight325.41 g/mol
Exact Mass325.17
IUPAC Name[1-(benzylamino)-3-methyl-1-oxobutan-2-yl] 2-phenylacetate
SMILESCC(C)C(OC(=O)Cc1ccccc1)C(=O)NCc1ccccc1
InChIInChI=1S/C20H23NO3/c1-15(2)19(20(23)21-14-17-11-7-4-8-12-17)24-18(22)13-16-9-5-3-6-10-16/h3-12,15,19H,13-14H2,1-2H3,(H,21,23)
InChIKeyZGOCKCLUXUKHJS-UHFFFAOYSA-N
XLogP3.11
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(benzylamino)-3-methyl-1-oxobutan-2-yl] furan-2-carboxylate
CID 647241
[(2R,3S)-3-acetyloxy-1,4-bis(benzylamino)-1,4-dioxobutan-2-yl] acetate
CID 7232226
N-benzyl-2-methylpropanamide;methane
CID 160760567
(2R)-N-benzyl-2-(chloroamino)-3-methylbutanamide
CID 88902404
[(2S)-1-(benzylcarbamoylamino)-1-oxopropan-2-yl] 2-(4-hydroxyphenyl)acetate
CID 9061481
(2S)-2-amino-N-benzyl-3-methylbutanamide
CID 11063601
(2S,3S)-3-amino-N-benzyl-2-hydroxybutanamide
CID 71428233
2-amino-N-benzyl-3-methylbutanamide
CID 14404632
oxophosphanium;propan-2-yl 2-phenylacetate
CID 159678340
1-bromoethyl 2-phenylacetate
CID 22386448
[1-(benzylamino)-3-hydroxy-4,4-dimethyl-1-oxopentan-2-yl] carbamate
CID 166791710
(2S,3R)-N-benzyl-3-hydrazinyl-2-hydroxybutanamide
CID 71428235

Frequently Asked Questions

What is the IUPAC name of [1-(benzylamino)-3-methyl-1-oxobutan-2-yl] 2-phenylacetate?
The IUPAC name of [1-(benzylamino)-3-methyl-1-oxobutan-2-yl] 2-phenylacetate (CID 134865805) is [1-(benzylamino)-3-methyl-1-oxobutan-2-yl] 2-phenylacetate.
What is the SMILES notation for [1-(benzylamino)-3-methyl-1-oxobutan-2-yl] 2-phenylacetate?
The canonical SMILES for [1-(benzylamino)-3-methyl-1-oxobutan-2-yl] 2-phenylacetate is CC(C)C(OC(=O)Cc1ccccc1)C(=O)NCc1ccccc1.
What is the InChIKey of [1-(benzylamino)-3-methyl-1-oxobutan-2-yl] 2-phenylacetate?
The InChIKey is ZGOCKCLUXUKHJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO3/c1-15(2)19(20(23)21-14-17-11-7-4-8-12-17)24-18(22)13-16-9-5-3-6-10-16/h3-12,15,19H,13-14H2,1-2H3,(H,21,23).
What are the key properties of [1-(benzylamino)-3-methyl-1-oxobutan-2-yl] 2-phenylacetate?
[1-(benzylamino)-3-methyl-1-oxobutan-2-yl] 2-phenylacetate has a molecular weight of 325.41 g/mol, XLogP of 3.11, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(benzylamino)-3-methyl-1-oxobutan-2-yl] 2-phenylacetate is sourced from PubChem (CID 134865805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).