tert-butyl N-ethyl-N-[2-[(3-methoxy-2-methylpropyl)amino]ethyl]carbamate

C14H30N2O3 — CID 102671978

IUPACtert-butyl N-ethyl-N-[2-[(3-methoxy-2-methylpropyl)amino]ethyl]carbamate
SMILESCCN(CCNCC(C)COC)C(=O)OC(C)(C)C
InChIInChI=1S/C14H30N2O3/c1-7-16(13(17)19-14(3,4)5)9-8-15-10-12(2)11-18-6/h12,15H,7-11H2,1-6H3
InChIKeyUOKRMXFNIPZBSF-UHFFFAOYSA-N
MW274.40 g/mol
LogP2.12
Rot. Bonds8

About tert-butyl N-ethyl-N-[2-[(3-methoxy-2-methylpropyl)amino]ethyl]carbamate

tert-butyl N-ethyl-N-[2-[(3-methoxy-2-methylpropyl)amino]ethyl]carbamate (PubChem CID 102671978) has the molecular formula C14H30N2O3 and a molecular weight of 274.40 g/mol. Its IUPAC name is tert-butyl N-ethyl-N-[2-[(3-methoxy-2-methylpropyl)amino]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-ethyl-N-[2-[(3-methoxy-2-methylpropyl)amino]ethyl]carbamate
PubChem CID102671978
Molecular FormulaC14H30N2O3
Molecular Weight274.40 g/mol
Exact Mass274.23
IUPAC Nametert-butyl N-ethyl-N-[2-[(3-methoxy-2-methylpropyl)amino]ethyl]carbamate
SMILESCCN(CCNCC(C)COC)C(=O)OC(C)(C)C
InChIInChI=1S/C14H30N2O3/c1-7-16(13(17)19-14(3,4)5)9-8-15-10-12(2)11-18-6/h12,15H,7-11H2,1-6H3
InChIKeyUOKRMXFNIPZBSF-UHFFFAOYSA-N
XLogP2.12
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.40
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-(2-hydroxypropyl)-N-[2-[(3-methoxy-2-methylpropyl)amino]ethyl]carbamate
CID 107257320
tert-butyl N-ethyl-N-[2-(2-methylpentylamino)ethyl]carbamate
CID 107245361
tert-butyl N-[3-[(3-methoxy-2-methylpropyl)amino]propyl]-N-methylcarbamate
CID 102672051
tert-butyl N-ethyl-N-(2-formamidoethyl)carbamate
CID 177330267
tert-butyl N-ethyl-N-[2-(methylamino)ethyl]carbamate
CID 89069873
tert-butyl N-[2-[(5-amino-1-methoxypentan-2-yl)amino]ethyl]-N-ethylcarbamate
CID 107245385
methyl 4-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-methylbutanoate
CID 89026168
tert-butyl N-[2-(ethylamino)ethyl]-N-(2-hydroxypropyl)carbamate
CID 107257153
tert-butyl N-tert-butyl-N-[2-[(2-hydroxy-3-methoxypropyl)amino]ethyl]carbamate
CID 107445688
tert-butyl N-ethyl-N-(2-methylbutyl)carbamate
CID 79470192
tert-butyl N-ethyl-N-[2-(piperidin-4-ylmethylamino)ethyl]carbamate
CID 107245368
tert-butyl N-[2-[(3-hydroxy-3-methylbutan-2-yl)amino]ethyl]-N-(2-methoxyethyl)carbamate
CID 107256998

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-ethyl-N-[2-[(3-methoxy-2-methylpropyl)amino]ethyl]carbamate?
The IUPAC name of tert-butyl N-ethyl-N-[2-[(3-methoxy-2-methylpropyl)amino]ethyl]carbamate (CID 102671978) is tert-butyl N-ethyl-N-[2-[(3-methoxy-2-methylpropyl)amino]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-ethyl-N-[2-[(3-methoxy-2-methylpropyl)amino]ethyl]carbamate?
The canonical SMILES for tert-butyl N-ethyl-N-[2-[(3-methoxy-2-methylpropyl)amino]ethyl]carbamate is CCN(CCNCC(C)COC)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-ethyl-N-[2-[(3-methoxy-2-methylpropyl)amino]ethyl]carbamate?
The InChIKey is UOKRMXFNIPZBSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O3/c1-7-16(13(17)19-14(3,4)5)9-8-15-10-12(2)11-18-6/h12,15H,7-11H2,1-6H3.
What are the key properties of tert-butyl N-ethyl-N-[2-[(3-methoxy-2-methylpropyl)amino]ethyl]carbamate?
tert-butyl N-ethyl-N-[2-[(3-methoxy-2-methylpropyl)amino]ethyl]carbamate has a molecular weight of 274.40 g/mol, XLogP of 2.12, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-ethyl-N-[2-[(3-methoxy-2-methylpropyl)amino]ethyl]carbamate is sourced from PubChem (CID 102671978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).