tert-butyl N-[3-[2-ethoxyethyl(methyl)amino]-2-hydroxy-2-methylpropyl]carbamate

C14H30N2O4 — CID 122141631

IUPACtert-butyl N-[3-[2-ethoxyethyl(methyl)amino]-2-hydroxy-2-methylpropyl]carbamate
SMILESCCOCCN(C)CC(C)(O)CNC(=O)OC(C)(C)C
InChIInChI=1S/C14H30N2O4/c1-7-19-9-8-16(6)11-14(5,18)10-15-12(17)20-13(2,3)4/h18H,7-11H2,1-6H3,(H,15,17)
InChIKeyQSKCXJDJGCNHAC-UHFFFAOYSA-N
MW290.40 g/mol
LogP1.23
Rot. Bonds8

About tert-butyl N-[3-[2-ethoxyethyl(methyl)amino]-2-hydroxy-2-methylpropyl]carbamate

tert-butyl N-[3-[2-ethoxyethyl(methyl)amino]-2-hydroxy-2-methylpropyl]carbamate (PubChem CID 122141631) has the molecular formula C14H30N2O4 and a molecular weight of 290.40 g/mol. Its IUPAC name is tert-butyl N-[3-[2-ethoxyethyl(methyl)amino]-2-hydroxy-2-methylpropyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-[2-ethoxyethyl(methyl)amino]-2-hydroxy-2-methylpropyl]carbamate
PubChem CID122141631
Molecular FormulaC14H30N2O4
Molecular Weight290.40 g/mol
Exact Mass290.22
IUPAC Nametert-butyl N-[3-[2-ethoxyethyl(methyl)amino]-2-hydroxy-2-methylpropyl]carbamate
SMILESCCOCCN(C)CC(C)(O)CNC(=O)OC(C)(C)C
InChIInChI=1S/C14H30N2O4/c1-7-19-9-8-16(6)11-14(5,18)10-15-12(17)20-13(2,3)4/h18H,7-11H2,1-6H3,(H,15,17)
InChIKeyQSKCXJDJGCNHAC-UHFFFAOYSA-N
XLogP1.23
TPSA71.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.40
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[3-[2-ethoxyethyl(methyl)amino]-2-hydroxy-2-methylpropyl]-N-methylcarbamate
CID 122153904
tert-butyl N-[4-[[3,3-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]-methylamino]-2,2-dimethylbutyl]carbamate
CID 139538581
tert-butyl N-(3-ethoxypropyl)carbamate
CID 63787963
tert-butyl N-[2-[2-(2-ethoxyethoxy)ethoxy]ethyl]carbamate;molecular hydrogen
CID 177223683
tert-butyl N-[3-(dimethylamino)-2,2-dimethylpropyl]carbamate
CID 65142819
tert-butyl N-[2-(3-ethoxypropanoylamino)ethyl]carbamate
CID 155275245
tert-butyl N-[2-[2-methoxyethyl(methyl)amino]ethyl]carbamate
CID 65142937
tert-butyl N-[3-[(2-chloroacetyl)-methylamino]-2,2-dimethylpropyl]carbamate
CID 135138778
2-(2-ethoxyethoxy)ethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
CID 156835456
ethyl (2R)-2-hydroxy-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 10857788
tert-butyl N-(2-ethyl-2-methylbutyl)carbamate
CID 90843997
3-[2-ethoxyethyl(methyl)amino]propanoic acid
CID 60988072

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[2-ethoxyethyl(methyl)amino]-2-hydroxy-2-methylpropyl]carbamate?
The IUPAC name of tert-butyl N-[3-[2-ethoxyethyl(methyl)amino]-2-hydroxy-2-methylpropyl]carbamate (CID 122141631) is tert-butyl N-[3-[2-ethoxyethyl(methyl)amino]-2-hydroxy-2-methylpropyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-[2-ethoxyethyl(methyl)amino]-2-hydroxy-2-methylpropyl]carbamate?
The canonical SMILES for tert-butyl N-[3-[2-ethoxyethyl(methyl)amino]-2-hydroxy-2-methylpropyl]carbamate is CCOCCN(C)CC(C)(O)CNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[3-[2-ethoxyethyl(methyl)amino]-2-hydroxy-2-methylpropyl]carbamate?
The InChIKey is QSKCXJDJGCNHAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O4/c1-7-19-9-8-16(6)11-14(5,18)10-15-12(17)20-13(2,3)4/h18H,7-11H2,1-6H3,(H,15,17).
What are the key properties of tert-butyl N-[3-[2-ethoxyethyl(methyl)amino]-2-hydroxy-2-methylpropyl]carbamate?
tert-butyl N-[3-[2-ethoxyethyl(methyl)amino]-2-hydroxy-2-methylpropyl]carbamate has a molecular weight of 290.40 g/mol, XLogP of 1.23, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-[2-ethoxyethyl(methyl)amino]-2-hydroxy-2-methylpropyl]carbamate is sourced from PubChem (CID 122141631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).