tert-butyl N-tert-butyl-N-[2-[(2-hydroxy-3-methoxypropyl)amino]ethyl]carbamate

C15H32N2O4 — CID 107445688

IUPACtert-butyl N-tert-butyl-N-[2-[(2-hydroxy-3-methoxypropyl)amino]ethyl]carbamate
SMILESCOCC(O)CNCCN(C(=O)OC(C)(C)C)C(C)(C)C
InChIInChI=1S/C15H32N2O4/c1-14(2,3)17(13(19)21-15(4,5)6)9-8-16-10-12(18)11-20-7/h12,16,18H,8-11H2,1-7H3
InChIKeyKWMGPUGWXJUKOR-UHFFFAOYSA-N
MW304.43 g/mol
LogP1.62
Rot. Bonds7

About tert-butyl N-tert-butyl-N-[2-[(2-hydroxy-3-methoxypropyl)amino]ethyl]carbamate

tert-butyl N-tert-butyl-N-[2-[(2-hydroxy-3-methoxypropyl)amino]ethyl]carbamate (PubChem CID 107445688) has the molecular formula C15H32N2O4 and a molecular weight of 304.43 g/mol. Its IUPAC name is tert-butyl N-tert-butyl-N-[2-[(2-hydroxy-3-methoxypropyl)amino]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-tert-butyl-N-[2-[(2-hydroxy-3-methoxypropyl)amino]ethyl]carbamate
PubChem CID107445688
Molecular FormulaC15H32N2O4
Molecular Weight304.43 g/mol
Exact Mass304.24
IUPAC Nametert-butyl N-tert-butyl-N-[2-[(2-hydroxy-3-methoxypropyl)amino]ethyl]carbamate
SMILESCOCC(O)CNCCN(C(=O)OC(C)(C)C)C(C)(C)C
InChIInChI=1S/C15H32N2O4/c1-14(2,3)17(13(19)21-15(4,5)6)9-8-16-10-12(18)11-20-7/h12,16,18H,8-11H2,1-7H3
InChIKeyKWMGPUGWXJUKOR-UHFFFAOYSA-N
XLogP1.62
TPSA71.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
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

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-tert-butyl-N-[2-[(2-hydroxy-4,4-dimethylpentyl)amino]ethyl]carbamate
CID 107446284
tert-butyl N-tert-butyl-N-[2-(2-methoxyethylamino)ethyl]carbamate
CID 107444446
tert-butyl N-tert-butyl-N-[2-(2-methoxypropylamino)ethyl]carbamate
CID 107446261
tert-butyl N-tert-butyl-N-[2-[(4-hydroxy-2-methylbutyl)amino]ethyl]carbamate
CID 107445802
tert-butyl N-tert-butyl-N-[2-(2-methoxyethoxyamino)ethyl]carbamate
CID 107445990
tert-butyl N-tert-butyl-N-[2-(cyclopropylmethylamino)ethyl]carbamate
CID 107444454
tert-butyl N-tert-butyl-N-[2-(methoxyamino)ethyl]carbamate
CID 107445980
tert-butyl N-tert-butyl-N-[2-[(2-hydroxy-2-thiophen-3-ylethyl)amino]ethyl]carbamate
CID 106434713
tert-butyl N-tert-butyl-N-[2-(tert-butylamino)ethyl]carbamate
CID 107444428
tert-butyl N-tert-butyl-N-[2-(2-methylsulfonylethylamino)ethyl]carbamate
CID 107445324
tert-butyl N-[2-[(4-amino-4-oxobutyl)amino]ethyl]-N-tert-butylcarbamate
CID 107445309
tert-butyl N-(2-hydroxypropyl)-N-[2-[(3-methoxy-2-methylpropyl)amino]ethyl]carbamate
CID 107257320

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-tert-butyl-N-[2-[(2-hydroxy-3-methoxypropyl)amino]ethyl]carbamate?
The IUPAC name of tert-butyl N-tert-butyl-N-[2-[(2-hydroxy-3-methoxypropyl)amino]ethyl]carbamate (CID 107445688) is tert-butyl N-tert-butyl-N-[2-[(2-hydroxy-3-methoxypropyl)amino]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-tert-butyl-N-[2-[(2-hydroxy-3-methoxypropyl)amino]ethyl]carbamate?
The canonical SMILES for tert-butyl N-tert-butyl-N-[2-[(2-hydroxy-3-methoxypropyl)amino]ethyl]carbamate is COCC(O)CNCCN(C(=O)OC(C)(C)C)C(C)(C)C.
What is the InChIKey of tert-butyl N-tert-butyl-N-[2-[(2-hydroxy-3-methoxypropyl)amino]ethyl]carbamate?
The InChIKey is KWMGPUGWXJUKOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O4/c1-14(2,3)17(13(19)21-15(4,5)6)9-8-16-10-12(18)11-20-7/h12,16,18H,8-11H2,1-7H3.
What are the key properties of tert-butyl N-tert-butyl-N-[2-[(2-hydroxy-3-methoxypropyl)amino]ethyl]carbamate?
tert-butyl N-tert-butyl-N-[2-[(2-hydroxy-3-methoxypropyl)amino]ethyl]carbamate has a molecular weight of 304.43 g/mol, XLogP of 1.62, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-tert-butyl-N-[2-[(2-hydroxy-3-methoxypropyl)amino]ethyl]carbamate is sourced from PubChem (CID 107445688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).