benzyl N-(3-methylbutan-2-yl)carbamate;ethane

C15H25NO2 — CID 145481818

IUPACbenzyl N-(3-methylbutan-2-yl)carbamate;ethane
SMILESCC.CC(C)C(C)NC(=O)OCc1ccccc1
InChIInChI=1S/C13H19NO2.C2H6/c1-10(2)11(3)14-13(15)16-9-12-7-5-4-6-8-12;1-2/h4-8,10-11H,9H2,1-3H3,(H,14,15);1-2H3
InChIKeyANQJWOVCJJWYKL-UHFFFAOYSA-N
MW251.37 g/mol
LogP3.98
Rot. Bonds4

About benzyl N-(3-methylbutan-2-yl)carbamate;ethane

benzyl N-(3-methylbutan-2-yl)carbamate;ethane (PubChem CID 145481818) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is benzyl N-(3-methylbutan-2-yl)carbamate;ethane.

Molecular Properties

Compound Namebenzyl N-(3-methylbutan-2-yl)carbamate;ethane
PubChem CID145481818
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Namebenzyl N-(3-methylbutan-2-yl)carbamate;ethane
SMILESCC.CC(C)C(C)NC(=O)OCc1ccccc1
InChIInChI=1S/C13H19NO2.C2H6/c1-10(2)11(3)14-13(15)16-9-12-7-5-4-6-8-12;1-2/h4-8,10-11H,9H2,1-3H3,(H,14,15);1-2H3
InChIKeyANQJWOVCJJWYKL-UHFFFAOYSA-N
XLogP3.98
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

triphenyl-[(1S)-1-(phenylmethoxycarbonylamino)ethyl]phosphanium
CID 57338291
methyl (2R,3S)-2-hydroxy-3-(phenylmethoxycarbonylamino)butanoate
CID 56634953
benzyl N-(3-hydroxy-5-methylhexan-2-yl)carbamate
CID 20577893
methyl 3-methyl-2-(phenylmethoxycarbonylamino)butanoate
CID 12675847
benzyl N-(1,1-dicyclopropylpropan-2-yl)carbamate
CID 169081481
benzyl N-(3-oxobutan-2-yl)carbamate
CID 18726564
benzyl N-[(2S)-3-oxobutan-2-yl]carbamate
CID 59895800
(2R)-2-[(1S)-1-(phenylmethoxycarbonylamino)ethyl]hexanoic acid
CID 90326409
[2-methyl-1-(phenylmethoxycarbonylamino)propyl]phosphonic acid
CID 12524618
[2-methyl-1-(phenylmethoxycarbonylamino)propyl]phosphonous acid
CID 21325852
benzyl N-[3-[(2-hydroxybenzoyl)amino]butan-2-yl]carbamate
CID 67174902
2-(phenylmethoxycarbonylamino)propanoate
CID 4115530

Frequently Asked Questions

What is the IUPAC name of benzyl N-(3-methylbutan-2-yl)carbamate;ethane?
The IUPAC name of benzyl N-(3-methylbutan-2-yl)carbamate;ethane (CID 145481818) is benzyl N-(3-methylbutan-2-yl)carbamate;ethane.
What is the SMILES notation for benzyl N-(3-methylbutan-2-yl)carbamate;ethane?
The canonical SMILES for benzyl N-(3-methylbutan-2-yl)carbamate;ethane is CC.CC(C)C(C)NC(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-(3-methylbutan-2-yl)carbamate;ethane?
The InChIKey is ANQJWOVCJJWYKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2.C2H6/c1-10(2)11(3)14-13(15)16-9-12-7-5-4-6-8-12;1-2/h4-8,10-11H,9H2,1-3H3,(H,14,15);1-2H3.
What are the key properties of benzyl N-(3-methylbutan-2-yl)carbamate;ethane?
benzyl N-(3-methylbutan-2-yl)carbamate;ethane has a molecular weight of 251.37 g/mol, XLogP of 3.98, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-(3-methylbutan-2-yl)carbamate;ethane is sourced from PubChem (CID 145481818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).