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

C15H21NO3 — CID 24788666

IUPACtert-butyl N-(2-methyl-3-oxo-1-phenylpropyl)carbamate
SMILESCC(C=O)C(NC(=O)OC(C)(C)C)c1ccccc1
InChIInChI=1S/C15H21NO3/c1-11(10-17)13(12-8-6-5-7-9-12)16-14(18)19-15(2,3)4/h5-11,13H,1-4H3,(H,16,18)
InChIKeyYEUASEYJCPDLQY-UHFFFAOYSA-N
MW263.34 g/mol
LogP3.09
Rot. Bonds4

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

tert-butyl N-(2-methyl-3-oxo-1-phenylpropyl)carbamate (PubChem CID 24788666) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is tert-butyl N-(2-methyl-3-oxo-1-phenylpropyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(2-methyl-3-oxo-1-phenylpropyl)carbamate
PubChem CID24788666
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Nametert-butyl N-(2-methyl-3-oxo-1-phenylpropyl)carbamate
SMILESCC(C=O)C(NC(=O)OC(C)(C)C)c1ccccc1
InChIInChI=1S/C15H21NO3/c1-11(10-17)13(12-8-6-5-7-9-12)16-14(18)19-15(2,3)4/h5-11,13H,1-4H3,(H,16,18)
InChIKeyYEUASEYJCPDLQY-UHFFFAOYSA-N
XLogP3.09
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[(1R,2R)-1-(4-chlorophenyl)-2-methyl-3-oxopropyl]carbamate
CID 102169131
2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoic acid
CID 56828048
tert-butyl N-[(1R,2R)-2-amino-1-phenylpropyl]carbamate
CID 102077726
tert-butyl N-[2,3-dihydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]-1,4-diphenylbutyl]carbamate
CID 15294700
tert-butyl N-(2-amino-2-hydroxy-1-phenylethyl)carbamate
CID 20805642
tert-butyl N-[(1R,2R)-2-nitro-1-phenylpropyl]carbamate
CID 102077718
tert-butyl N-(2-ethyl-1-phenylbutyl)carbamate
CID 18378512
tert-butyl N-[(1R)-2,2-dicyano-1-phenylethyl]carbamate
CID 122398460
(2R,3S)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoate
CID 7010686
tert-butyl N-[(1R)-1-phenylethyl]carbamate;ethane
CID 143116605
(1S,2R)-1-amino-1-phenylpropan-2-ol;tert-butyl N-[(1S,2R)-2-hydroxy-1-phenylpropyl]carbamate
CID 157326736
tert-butyl N-(2-fluoro-3-oxo-1,3-diphenylpropyl)carbamate
CID 135034070

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2-methyl-3-oxo-1-phenylpropyl)carbamate?
The IUPAC name of tert-butyl N-(2-methyl-3-oxo-1-phenylpropyl)carbamate (CID 24788666) is tert-butyl N-(2-methyl-3-oxo-1-phenylpropyl)carbamate.
What is the SMILES notation for tert-butyl N-(2-methyl-3-oxo-1-phenylpropyl)carbamate?
The canonical SMILES for tert-butyl N-(2-methyl-3-oxo-1-phenylpropyl)carbamate is CC(C=O)C(NC(=O)OC(C)(C)C)c1ccccc1.
What is the InChIKey of tert-butyl N-(2-methyl-3-oxo-1-phenylpropyl)carbamate?
The InChIKey is YEUASEYJCPDLQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-11(10-17)13(12-8-6-5-7-9-12)16-14(18)19-15(2,3)4/h5-11,13H,1-4H3,(H,16,18).
What are the key properties of tert-butyl N-(2-methyl-3-oxo-1-phenylpropyl)carbamate?
tert-butyl N-(2-methyl-3-oxo-1-phenylpropyl)carbamate has a molecular weight of 263.34 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(2-methyl-3-oxo-1-phenylpropyl)carbamate is sourced from PubChem (CID 24788666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).