tert-butyl N-benzyl-N-(3-oxobutan-2-yl)carbamate

C16H23NO3 — CID 130815225

IUPACtert-butyl N-benzyl-N-(3-oxobutan-2-yl)carbamate
SMILESCC(=O)C(C)N(Cc1ccccc1)C(=O)OC(C)(C)C
InChIInChI=1S/C16H23NO3/c1-12(13(2)18)17(15(19)20-16(3,4)5)11-14-9-7-6-8-10-14/h6-10,12H,11H2,1-5H3
InChIKeyPSRMZPBREVDMJN-UHFFFAOYSA-N
MW277.36 g/mol
LogP3.40
Rot. Bonds4

About tert-butyl N-benzyl-N-(3-oxobutan-2-yl)carbamate

tert-butyl N-benzyl-N-(3-oxobutan-2-yl)carbamate (PubChem CID 130815225) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is tert-butyl N-benzyl-N-(3-oxobutan-2-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-benzyl-N-(3-oxobutan-2-yl)carbamate
PubChem CID130815225
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Nametert-butyl N-benzyl-N-(3-oxobutan-2-yl)carbamate
SMILESCC(=O)C(C)N(Cc1ccccc1)C(=O)OC(C)(C)C
InChIInChI=1S/C16H23NO3/c1-12(13(2)18)17(15(19)20-16(3,4)5)11-14-9-7-6-8-10-14/h6-10,12H,11H2,1-5H3
InChIKeyPSRMZPBREVDMJN-UHFFFAOYSA-N
XLogP3.40
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[benzyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid
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methyl 2-[benzyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate
CID 14200640
tert-butyl N-benzyl-N-(1-hydroxy-3-methylsulfanylpropan-2-yl)carbamate
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tert-butyl N-benzyl-N-[phenyl(trimethylstannyl)methyl]carbamate
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methyl (2S,3S)-3-[benzyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-hydroxy-5-methylhexanoate
CID 11089834
2-[4-[[(2-methylpropan-2-yl)oxycarbonyl-propan-2-ylamino]methyl]phenyl]acetic acid
CID 170835837
methyl 3-[benzyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoate
CID 155572646
2-[benzyl-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoyl]amino]-3-hydroxypropanoic acid
CID 175075361
2-[(2-methylpropan-2-yl)oxycarbonyl-[(2R)-1-phenylpropan-2-yl]amino]acetic acid
CID 57126897
2-[(2-methylpropan-2-yl)oxycarbonyl-(thiophen-2-ylmethyl)amino]propanoic acid
CID 82045233
tert-butyl N-benzyl-N-[(3R)-2-[dimethyl(phenyl)silyl]-4-methylpent-1-en-3-yl]carbamate
CID 11575431
tert-butyl N-benzyl-N-[(3S)-2-[dimethyl(phenyl)silyl]-4-methylpent-1-en-3-yl]carbamate
CID 11589908

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-benzyl-N-(3-oxobutan-2-yl)carbamate?
The IUPAC name of tert-butyl N-benzyl-N-(3-oxobutan-2-yl)carbamate (CID 130815225) is tert-butyl N-benzyl-N-(3-oxobutan-2-yl)carbamate.
What is the SMILES notation for tert-butyl N-benzyl-N-(3-oxobutan-2-yl)carbamate?
The canonical SMILES for tert-butyl N-benzyl-N-(3-oxobutan-2-yl)carbamate is CC(=O)C(C)N(Cc1ccccc1)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-benzyl-N-(3-oxobutan-2-yl)carbamate?
The InChIKey is PSRMZPBREVDMJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-12(13(2)18)17(15(19)20-16(3,4)5)11-14-9-7-6-8-10-14/h6-10,12H,11H2,1-5H3.
What are the key properties of tert-butyl N-benzyl-N-(3-oxobutan-2-yl)carbamate?
tert-butyl N-benzyl-N-(3-oxobutan-2-yl)carbamate has a molecular weight of 277.36 g/mol, XLogP of 3.40, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-benzyl-N-(3-oxobutan-2-yl)carbamate is sourced from PubChem (CID 130815225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).