tert-butyl N-benzyl-N-(3-ethylcyclobutyl)carbamate

C18H27NO2 — CID 163452966

IUPACtert-butyl N-benzyl-N-(3-ethylcyclobutyl)carbamate
SMILESCCC1CC(N(Cc2ccccc2)C(=O)OC(C)(C)C)C1
InChIInChI=1S/C18H27NO2/c1-5-14-11-16(12-14)19(17(20)21-18(2,3)4)13-15-9-7-6-8-10-15/h6-10,14,16H,5,11-13H2,1-4H3
InChIKeyBIBOOHJNRZIKJN-UHFFFAOYSA-N
MW289.42 g/mol
LogP4.61
Rot. Bonds4

About tert-butyl N-benzyl-N-(3-ethylcyclobutyl)carbamate

tert-butyl N-benzyl-N-(3-ethylcyclobutyl)carbamate (PubChem CID 163452966) has the molecular formula C18H27NO2 and a molecular weight of 289.42 g/mol. Its IUPAC name is tert-butyl N-benzyl-N-(3-ethylcyclobutyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-benzyl-N-(3-ethylcyclobutyl)carbamate
PubChem CID163452966
Molecular FormulaC18H27NO2
Molecular Weight289.42 g/mol
Exact Mass289.20
IUPAC Nametert-butyl N-benzyl-N-(3-ethylcyclobutyl)carbamate
SMILESCCC1CC(N(Cc2ccccc2)C(=O)OC(C)(C)C)C1
InChIInChI=1S/C18H27NO2/c1-5-14-11-16(12-14)19(17(20)21-18(2,3)4)13-15-9-7-6-8-10-15/h6-10,14,16H,5,11-13H2,1-4H3
InChIKeyBIBOOHJNRZIKJN-UHFFFAOYSA-N
XLogP4.61
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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tert-butyl N-[(4-aminophenyl)methyl]-N-(2,3-dihydro-1H-inden-2-yl)carbamate
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tert-butyl N-benzyl-N-[5-(benzylamino)-1,1-dioxothian-3-yl]carbamate
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tert-butyl N-benzyl-N-(2-hydroxypropan-2-yl)carbamate
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tert-butyl N-benzyl-N-(bromomethyl)carbamate
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tert-butyl N-[(4-aminophenyl)methyl]-N-cyclohexylcarbamate
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methyl 4-[[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]benzoate
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2-O-methyl 1-O-prop-2-enyl (2S,4R)-4-[benzyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrrolidine-1,2-dicarboxylate
CID 170539644
ethyl (1S,2S,5R,6S)-2-[benzyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]bicyclo[3.1.0]hexane-6-carboxylate
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tert-butyl N-benzyl-N-formylcarbamate
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tert-butyl N-benzyl-N-(1-benzyl-4-phenylpyrrolidin-3-yl)carbamate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-benzyl-N-(3-ethylcyclobutyl)carbamate?
The IUPAC name of tert-butyl N-benzyl-N-(3-ethylcyclobutyl)carbamate (CID 163452966) is tert-butyl N-benzyl-N-(3-ethylcyclobutyl)carbamate.
What is the SMILES notation for tert-butyl N-benzyl-N-(3-ethylcyclobutyl)carbamate?
The canonical SMILES for tert-butyl N-benzyl-N-(3-ethylcyclobutyl)carbamate is CCC1CC(N(Cc2ccccc2)C(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl N-benzyl-N-(3-ethylcyclobutyl)carbamate?
The InChIKey is BIBOOHJNRZIKJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO2/c1-5-14-11-16(12-14)19(17(20)21-18(2,3)4)13-15-9-7-6-8-10-15/h6-10,14,16H,5,11-13H2,1-4H3.
What are the key properties of tert-butyl N-benzyl-N-(3-ethylcyclobutyl)carbamate?
tert-butyl N-benzyl-N-(3-ethylcyclobutyl)carbamate has a molecular weight of 289.42 g/mol, XLogP of 4.61, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-benzyl-N-(3-ethylcyclobutyl)carbamate is sourced from PubChem (CID 163452966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).