tert-butyl N-[2-[(3-hydroxy-3-methylbutan-2-yl)amino]ethyl]-N-(2-methoxyethyl)carbamate

C15H32N2O4 — CID 107256998

IUPACtert-butyl N-[2-[(3-hydroxy-3-methylbutan-2-yl)amino]ethyl]-N-(2-methoxyethyl)carbamate
SMILESCOCCN(CCNC(C)C(C)(C)O)C(=O)OC(C)(C)C
InChIInChI=1S/C15H32N2O4/c1-12(15(5,6)19)16-8-9-17(10-11-20-7)13(18)21-14(2,3)4/h12,16,19H,8-11H2,1-7H3
InChIKeyBCQKAFWHFJHRET-UHFFFAOYSA-N
MW304.43 g/mol
LogP1.62
Rot. Bonds8

About tert-butyl N-[2-[(3-hydroxy-3-methylbutan-2-yl)amino]ethyl]-N-(2-methoxyethyl)carbamate

tert-butyl N-[2-[(3-hydroxy-3-methylbutan-2-yl)amino]ethyl]-N-(2-methoxyethyl)carbamate (PubChem CID 107256998) has the molecular formula C15H32N2O4 and a molecular weight of 304.43 g/mol. Its IUPAC name is tert-butyl N-[2-[(3-hydroxy-3-methylbutan-2-yl)amino]ethyl]-N-(2-methoxyethyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[(3-hydroxy-3-methylbutan-2-yl)amino]ethyl]-N-(2-methoxyethyl)carbamate
PubChem CID107256998
Molecular FormulaC15H32N2O4
Molecular Weight304.43 g/mol
Exact Mass304.24
IUPAC Nametert-butyl N-[2-[(3-hydroxy-3-methylbutan-2-yl)amino]ethyl]-N-(2-methoxyethyl)carbamate
SMILESCOCCN(CCNC(C)C(C)(C)O)C(=O)OC(C)(C)C
InChIInChI=1S/C15H32N2O4/c1-12(15(5,6)19)16-8-9-17(10-11-20-7)13(18)21-14(2,3)4/h12,16,19H,8-11H2,1-7H3
InChIKeyBCQKAFWHFJHRET-UHFFFAOYSA-N
XLogP1.62
TPSA71.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-(2-methoxyethyl)-N-[2-(2-methylpentan-3-ylamino)ethyl]carbamate
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tert-butyl N-[2-[1-(furan-2-yl)propan-2-ylamino]ethyl]-N-(2-methoxyethyl)carbamate
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tert-butyl N-(2-methoxyethyl)-N-[2-(1-thiophen-2-ylpropylamino)ethyl]carbamate
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tert-butyl N-(2-methoxyethyl)-N-[2-[(1-oxothian-4-yl)amino]ethyl]carbamate
CID 107256930
tert-butyl N-(2-amino-2-oxoethyl)-N-(2-methoxyethyl)carbamate
CID 130748777
tert-butyl N-(2-methoxyethyl)-N-[2-[(2-methyloxolan-3-yl)amino]ethyl]carbamate
CID 103906269
tert-butyl N-[2-[(2,5-dimethylcyclohexyl)amino]ethyl]-N-(2-methoxyethyl)carbamate
CID 107256973
tert-butyl N-[2-[[1-[4-[(1S)-1-aminoethyl]phenyl]-3-methoxypropyl]amino]ethyl]-N-propylcarbamate
CID 155472986
tert-butyl N-[2-[(4,4-dimethylthian-3-yl)amino]ethyl]-N-(2-methoxyethyl)carbamate
CID 107256920
tert-butyl N-ethyl-N-[2-[(3-methoxy-2-methylpropyl)amino]ethyl]carbamate
CID 102671978
tert-butyl N-[2-[[1-(4-fluorophenyl)cyclopropanecarbonyl]amino]ethyl]-N-(2-methoxyethyl)carbamate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[(3-hydroxy-3-methylbutan-2-yl)amino]ethyl]-N-(2-methoxyethyl)carbamate?
The IUPAC name of tert-butyl N-[2-[(3-hydroxy-3-methylbutan-2-yl)amino]ethyl]-N-(2-methoxyethyl)carbamate (CID 107256998) is tert-butyl N-[2-[(3-hydroxy-3-methylbutan-2-yl)amino]ethyl]-N-(2-methoxyethyl)carbamate.
What is the SMILES notation for tert-butyl N-[2-[(3-hydroxy-3-methylbutan-2-yl)amino]ethyl]-N-(2-methoxyethyl)carbamate?
The canonical SMILES for tert-butyl N-[2-[(3-hydroxy-3-methylbutan-2-yl)amino]ethyl]-N-(2-methoxyethyl)carbamate is COCCN(CCNC(C)C(C)(C)O)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[2-[(3-hydroxy-3-methylbutan-2-yl)amino]ethyl]-N-(2-methoxyethyl)carbamate?
The InChIKey is BCQKAFWHFJHRET-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O4/c1-12(15(5,6)19)16-8-9-17(10-11-20-7)13(18)21-14(2,3)4/h12,16,19H,8-11H2,1-7H3.
What are the key properties of tert-butyl N-[2-[(3-hydroxy-3-methylbutan-2-yl)amino]ethyl]-N-(2-methoxyethyl)carbamate?
tert-butyl N-[2-[(3-hydroxy-3-methylbutan-2-yl)amino]ethyl]-N-(2-methoxyethyl)carbamate has a molecular weight of 304.43 g/mol, XLogP of 1.62, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[(3-hydroxy-3-methylbutan-2-yl)amino]ethyl]-N-(2-methoxyethyl)carbamate is sourced from PubChem (CID 107256998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).