benzyl N-[1-(tert-butylamino)-3-oxobutan-2-yl]carbamate

C16H24N2O3 — CID 71120050

IUPACbenzyl N-[1-(tert-butylamino)-3-oxobutan-2-yl]carbamate
SMILESCC(=O)C(CNC(C)(C)C)NC(=O)OCc1ccccc1
InChIInChI=1S/C16H24N2O3/c1-12(19)14(10-17-16(2,3)4)18-15(20)21-11-13-8-6-5-7-9-13/h5-9,14,17H,10-11H2,1-4H3,(H,18,20)
InChIKeyDQLFXZKYQKSYJU-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.26
Rot. Bonds6

About benzyl N-[1-(tert-butylamino)-3-oxobutan-2-yl]carbamate

benzyl N-[1-(tert-butylamino)-3-oxobutan-2-yl]carbamate (PubChem CID 71120050) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is benzyl N-[1-(tert-butylamino)-3-oxobutan-2-yl]carbamate.

Molecular Properties

Compound Namebenzyl N-[1-(tert-butylamino)-3-oxobutan-2-yl]carbamate
PubChem CID71120050
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Namebenzyl N-[1-(tert-butylamino)-3-oxobutan-2-yl]carbamate
SMILESCC(=O)C(CNC(C)(C)C)NC(=O)OCc1ccccc1
InChIInChI=1S/C16H24N2O3/c1-12(19)14(10-17-16(2,3)4)18-15(20)21-11-13-8-6-5-7-9-13/h5-9,14,17H,10-11H2,1-4H3,(H,18,20)
InChIKeyDQLFXZKYQKSYJU-UHFFFAOYSA-N
XLogP2.26
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl N-[(2R)-3-oxo-1-phenylbutan-2-yl]carbamate
CID 5289617
benzyl N-[(3S)-7-amino-2-oxoheptan-3-yl]carbamate
CID 59070595
(4S)-5-amino-2-tert-butyl-5-oxo-4-(phenylmethoxycarbonylamino)pentanoic acid
CID 172680802
benzyl N-(1-amino-4-methyl-1-oxopentan-2-yl)carbamate
CID 5147892
benzyl N-[(2S)-1-(tert-butylamino)-1-oxo-3-phenylpropan-2-yl]carbamate
CID 11068208
benzyl N-[(2S)-3-oxobutan-2-yl]carbamate
CID 59895800
benzyl N-(3-oxobutan-2-yl)carbamate
CID 18726564
benzyl N-(4,4-dimethyl-3-oxo-1-phenylpentan-2-yl)carbamate
CID 59862824
benzyl (2R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(phenylmethoxycarbonylamino)propanoate
CID 124930565
(3S)-2,2-dimethyl-3-(phenylmethoxycarbonylamino)butanoic acid
CID 91182663
methyl 2,3-bis(phenylmethoxycarbonylamino)propanoate
CID 130148530
benzyl N-[4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxohexyl]carbamate
CID 72535040

Frequently Asked Questions

What is the IUPAC name of benzyl N-[1-(tert-butylamino)-3-oxobutan-2-yl]carbamate?
The IUPAC name of benzyl N-[1-(tert-butylamino)-3-oxobutan-2-yl]carbamate (CID 71120050) is benzyl N-[1-(tert-butylamino)-3-oxobutan-2-yl]carbamate.
What is the SMILES notation for benzyl N-[1-(tert-butylamino)-3-oxobutan-2-yl]carbamate?
The canonical SMILES for benzyl N-[1-(tert-butylamino)-3-oxobutan-2-yl]carbamate is CC(=O)C(CNC(C)(C)C)NC(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-[1-(tert-butylamino)-3-oxobutan-2-yl]carbamate?
The InChIKey is DQLFXZKYQKSYJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-12(19)14(10-17-16(2,3)4)18-15(20)21-11-13-8-6-5-7-9-13/h5-9,14,17H,10-11H2,1-4H3,(H,18,20).
What are the key properties of benzyl N-[1-(tert-butylamino)-3-oxobutan-2-yl]carbamate?
benzyl N-[1-(tert-butylamino)-3-oxobutan-2-yl]carbamate has a molecular weight of 292.38 g/mol, XLogP of 2.26, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[1-(tert-butylamino)-3-oxobutan-2-yl]carbamate is sourced from PubChem (CID 71120050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).