tert-butyl N-[3-(2-oxobutyl)phenyl]carbamate

C15H21NO3 — CID 158977134

IUPACtert-butyl N-[3-(2-oxobutyl)phenyl]carbamate
SMILESCCC(=O)Cc1cccc(NC(=O)OC(C)(C)C)c1
InChIInChI=1S/C15H21NO3/c1-5-13(17)10-11-7-6-8-12(9-11)16-14(18)19-15(2,3)4/h6-9H,5,10H2,1-4H3,(H,16,18)
InChIKeyJONMDRQLEBXNAF-UHFFFAOYSA-N
MW263.34 g/mol
LogP3.56
Rot. Bonds4

About tert-butyl N-[3-(2-oxobutyl)phenyl]carbamate

tert-butyl N-[3-(2-oxobutyl)phenyl]carbamate (PubChem CID 158977134) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is tert-butyl N-[3-(2-oxobutyl)phenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-(2-oxobutyl)phenyl]carbamate
PubChem CID158977134
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Nametert-butyl N-[3-(2-oxobutyl)phenyl]carbamate
SMILESCCC(=O)Cc1cccc(NC(=O)OC(C)(C)C)c1
InChIInChI=1S/C15H21NO3/c1-5-13(17)10-11-7-6-8-12(9-11)16-14(18)19-15(2,3)4/h6-9H,5,10H2,1-4H3,(H,16,18)
InChIKeyJONMDRQLEBXNAF-UHFFFAOYSA-N
XLogP3.56
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 ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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potassium trifluoro-[[3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]methyl]boranuide
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tert-butyl N-[3-methoxy-4-(2-oxobutyl)phenyl]carbamate
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methyl 3-methyl-2-[[2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]acetyl]amino]butanoate
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benzyl N-[3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]carbamate
CID 173301676
tert-butyl N-[3-(pyrrolidin-1-ylmethyl)phenyl]carbamate
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tert-butyl N-(3-ethoxyphenyl)carbamate
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tert-butyl N-[3-(2,2-dimethylpropylamino)phenyl]carbamate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-(2-oxobutyl)phenyl]carbamate?
The IUPAC name of tert-butyl N-[3-(2-oxobutyl)phenyl]carbamate (CID 158977134) is tert-butyl N-[3-(2-oxobutyl)phenyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-(2-oxobutyl)phenyl]carbamate?
The canonical SMILES for tert-butyl N-[3-(2-oxobutyl)phenyl]carbamate is CCC(=O)Cc1cccc(NC(=O)OC(C)(C)C)c1.
What is the InChIKey of tert-butyl N-[3-(2-oxobutyl)phenyl]carbamate?
The InChIKey is JONMDRQLEBXNAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-5-13(17)10-11-7-6-8-12(9-11)16-14(18)19-15(2,3)4/h6-9H,5,10H2,1-4H3,(H,16,18).
What are the key properties of tert-butyl N-[3-(2-oxobutyl)phenyl]carbamate?
tert-butyl N-[3-(2-oxobutyl)phenyl]carbamate has a molecular weight of 263.34 g/mol, XLogP of 3.56, 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-(2-oxobutyl)phenyl]carbamate is sourced from PubChem (CID 158977134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).