[3-methyl-1-oxo-1-(2-phenylethylamino)butan-2-yl] N-propan-2-ylcarbamate

C17H26N2O3 — CID 57157051

IUPAC[3-methyl-1-oxo-1-(2-phenylethylamino)butan-2-yl] N-propan-2-ylcarbamate
SMILESCC(C)NC(=O)OC(C(=O)NCCc1ccccc1)C(C)C
InChIInChI=1S/C17H26N2O3/c1-12(2)15(22-17(21)19-13(3)4)16(20)18-11-10-14-8-6-5-7-9-14/h5-9,12-13,15H,10-11H2,1-4H3,(H,18,20)(H,19,21)
InChIKeyVWYCNWWGIDMNTN-UHFFFAOYSA-N
MW306.41 g/mol
LogP2.50
Rot. Bonds7

About [3-methyl-1-oxo-1-(2-phenylethylamino)butan-2-yl] N-propan-2-ylcarbamate

[3-methyl-1-oxo-1-(2-phenylethylamino)butan-2-yl] N-propan-2-ylcarbamate (PubChem CID 57157051) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is [3-methyl-1-oxo-1-(2-phenylethylamino)butan-2-yl] N-propan-2-ylcarbamate.

Molecular Properties

Compound Name[3-methyl-1-oxo-1-(2-phenylethylamino)butan-2-yl] N-propan-2-ylcarbamate
PubChem CID57157051
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC Name[3-methyl-1-oxo-1-(2-phenylethylamino)butan-2-yl] N-propan-2-ylcarbamate
SMILESCC(C)NC(=O)OC(C(=O)NCCc1ccccc1)C(C)C
InChIInChI=1S/C17H26N2O3/c1-12(2)15(22-17(21)19-13(3)4)16(20)18-11-10-14-8-6-5-7-9-14/h5-9,12-13,15H,10-11H2,1-4H3,(H,18,20)(H,19,21)
InChIKeyVWYCNWWGIDMNTN-UHFFFAOYSA-N
XLogP2.50
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [3-methyl-1-oxo-1-(2-phenylethylamino)butan-2-yl] N-propan-2-ylcarbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(2S)-3-methyl-1-oxo-1-(2-phenylethylamino)butan-2-yl] thiophene-2-carboxylate
CID 7408897
[2,4,5-triacetyloxy-1,6-dioxo-1,6-bis(2-phenylethylamino)hexan-3-yl] acetate
CID 4863601
2-methyl-N-(2-phenylethyl)propanamide;dihydrochloride
CID 174557988
2-phenylethyl N-propan-2-ylcarbamate
CID 23548887
(2S)-2-acetamido-N-(2-phenylethyl)propanamide
CID 51647688
tert-butyl N-[(2S)-1-oxo-1-(2-phenylethylamino)propan-2-yl]carbamate
CID 14136105
[1-(benzylamino)-3-methyl-1-oxobutan-2-yl] 2-phenylacetate
CID 134865805
(3S)-3,4,4-trimethyl-N-(2-phenylethyl)pentanamide
CID 97019359
methyl 3-methyl-2-(2-phenylethylcarbamoylamino)butanoate
CID 3952798
4-methyl-2-(3-methylbutanoylamino)-N-[3-methyl-1-oxo-1-(2-phenylethylamino)butan-2-yl]pentanamide
CID 123512193
3-N-(2-phenylethyl)-5-N-propan-2-ylpyridine-3,5-dicarboxamide
CID 109101366
N-(2-phenylethyl)-2-pyrrol-1-ylpropanamide
CID 17086628

Frequently Asked Questions

What is the IUPAC name of [3-methyl-1-oxo-1-(2-phenylethylamino)butan-2-yl] N-propan-2-ylcarbamate?
The IUPAC name of [3-methyl-1-oxo-1-(2-phenylethylamino)butan-2-yl] N-propan-2-ylcarbamate (CID 57157051) is [3-methyl-1-oxo-1-(2-phenylethylamino)butan-2-yl] N-propan-2-ylcarbamate.
What is the SMILES notation for [3-methyl-1-oxo-1-(2-phenylethylamino)butan-2-yl] N-propan-2-ylcarbamate?
The canonical SMILES for [3-methyl-1-oxo-1-(2-phenylethylamino)butan-2-yl] N-propan-2-ylcarbamate is CC(C)NC(=O)OC(C(=O)NCCc1ccccc1)C(C)C.
What is the InChIKey of [3-methyl-1-oxo-1-(2-phenylethylamino)butan-2-yl] N-propan-2-ylcarbamate?
The InChIKey is VWYCNWWGIDMNTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-12(2)15(22-17(21)19-13(3)4)16(20)18-11-10-14-8-6-5-7-9-14/h5-9,12-13,15H,10-11H2,1-4H3,(H,18,20)(H,19,21).
What are the key properties of [3-methyl-1-oxo-1-(2-phenylethylamino)butan-2-yl] N-propan-2-ylcarbamate?
[3-methyl-1-oxo-1-(2-phenylethylamino)butan-2-yl] N-propan-2-ylcarbamate has a molecular weight of 306.41 g/mol, XLogP of 2.50, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-1-oxo-1-(2-phenylethylamino)butan-2-yl] N-propan-2-ylcarbamate is sourced from PubChem (CID 57157051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).