tert-butyl N-(3-methyl-1-oxo-1-phenylbutan-2-yl)carbamate

C16H23NO3 — CID 15743702

IUPACtert-butyl N-(3-methyl-1-oxo-1-phenylbutan-2-yl)carbamate
SMILESCC(C)C(NC(=O)OC(C)(C)C)C(=O)c1ccccc1
InChIInChI=1S/C16H23NO3/c1-11(2)13(17-15(19)20-16(3,4)5)14(18)12-9-7-6-8-10-12/h6-11,13H,1-5H3,(H,17,19)
InChIKeyITEHUTQYSLRTHM-UHFFFAOYSA-N
MW277.36 g/mol
LogP3.42
Rot. Bonds4

About tert-butyl N-(3-methyl-1-oxo-1-phenylbutan-2-yl)carbamate

tert-butyl N-(3-methyl-1-oxo-1-phenylbutan-2-yl)carbamate (PubChem CID 15743702) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is tert-butyl N-(3-methyl-1-oxo-1-phenylbutan-2-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(3-methyl-1-oxo-1-phenylbutan-2-yl)carbamate
PubChem CID15743702
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Nametert-butyl N-(3-methyl-1-oxo-1-phenylbutan-2-yl)carbamate
SMILESCC(C)C(NC(=O)OC(C)(C)C)C(=O)c1ccccc1
InChIInChI=1S/C16H23NO3/c1-11(2)13(17-15(19)20-16(3,4)5)14(18)12-9-7-6-8-10-12/h6-11,13H,1-5H3,(H,17,19)
InChIKeyITEHUTQYSLRTHM-UHFFFAOYSA-N
XLogP3.42
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze tert-butyl N-(3-methyl-1-oxo-1-phenylbutan-2-yl)carbamate 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

methyl N-(3-methyl-1-oxo-1-phenylbutan-2-yl)carbamate
CID 164938680
tert-butyl N-[(2S,3S)-3-methyl-1-oxo-1-phenylpentan-2-yl]carbamate
CID 11098288
tert-butyl N-[(2S)-1-[amino(benzoyl)amino]-3-methyl-1-oxobutan-2-yl]carbamate
CID 70354306
tert-butyl N-[(2S)-1-anilino-3-methyl-1-oxobutan-2-yl]carbamate
CID 14440793
benzyl (4S)-2,5-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxohexanoate
CID 59680880
tert-butyl N-[1-[benzyl(methyl)amino]-3-methyl-1-oxobutan-2-yl]carbamate
CID 86921437
ethyl 2-[4-[(2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]phenoxy]acetate
CID 54020369
methyl (2S)-2-[[(2R)-3-(1,3-dioxo-1,3-diphenylpropan-2-yl)sulfanyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-3-methylbutanoate
CID 132553653
tert-butyl N-(2-fluoro-3-oxo-1,3-diphenylpropyl)carbamate
CID 135034070
tert-butyl N-[1-(4-cyano-3-fluorophenyl)-3-methyl-1-oxobutan-2-yl]carbamate
CID 70693139
tert-butyl N-[(2S)-1-[[(1S)-2-hydroxy-1-phenylethyl]amino]-3-methyl-1-oxobutan-2-yl]carbamate
CID 101201490
methyl (2R,3R)-3-benzoylsulfanyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
CID 131738318

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(3-methyl-1-oxo-1-phenylbutan-2-yl)carbamate?
The IUPAC name of tert-butyl N-(3-methyl-1-oxo-1-phenylbutan-2-yl)carbamate (CID 15743702) is tert-butyl N-(3-methyl-1-oxo-1-phenylbutan-2-yl)carbamate.
What is the SMILES notation for tert-butyl N-(3-methyl-1-oxo-1-phenylbutan-2-yl)carbamate?
The canonical SMILES for tert-butyl N-(3-methyl-1-oxo-1-phenylbutan-2-yl)carbamate is CC(C)C(NC(=O)OC(C)(C)C)C(=O)c1ccccc1.
What is the InChIKey of tert-butyl N-(3-methyl-1-oxo-1-phenylbutan-2-yl)carbamate?
The InChIKey is ITEHUTQYSLRTHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-11(2)13(17-15(19)20-16(3,4)5)14(18)12-9-7-6-8-10-12/h6-11,13H,1-5H3,(H,17,19).
What are the key properties of tert-butyl N-(3-methyl-1-oxo-1-phenylbutan-2-yl)carbamate?
tert-butyl N-(3-methyl-1-oxo-1-phenylbutan-2-yl)carbamate has a molecular weight of 277.36 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(3-methyl-1-oxo-1-phenylbutan-2-yl)carbamate is sourced from PubChem (CID 15743702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).