tert-butyl N-(2-methoxyethyl)-N-[2-(2-methylpentan-3-ylamino)ethyl]carbamate

C16H34N2O3 — CID 103906265

IUPACtert-butyl N-(2-methoxyethyl)-N-[2-(2-methylpentan-3-ylamino)ethyl]carbamate
SMILESCCC(NCCN(CCOC)C(=O)OC(C)(C)C)C(C)C
InChIInChI=1S/C16H34N2O3/c1-8-14(13(2)3)17-9-10-18(11-12-20-7)15(19)21-16(4,5)6/h13-14,17H,8-12H2,1-7H3
InChIKeyZHSPCZMVWKUFSF-UHFFFAOYSA-N
MW302.46 g/mol
LogP2.89
Rot. Bonds9

About tert-butyl N-(2-methoxyethyl)-N-[2-(2-methylpentan-3-ylamino)ethyl]carbamate

tert-butyl N-(2-methoxyethyl)-N-[2-(2-methylpentan-3-ylamino)ethyl]carbamate (PubChem CID 103906265) has the molecular formula C16H34N2O3 and a molecular weight of 302.46 g/mol. Its IUPAC name is tert-butyl N-(2-methoxyethyl)-N-[2-(2-methylpentan-3-ylamino)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-(2-methoxyethyl)-N-[2-(2-methylpentan-3-ylamino)ethyl]carbamate
PubChem CID103906265
Molecular FormulaC16H34N2O3
Molecular Weight302.46 g/mol
Exact Mass302.26
IUPAC Nametert-butyl N-(2-methoxyethyl)-N-[2-(2-methylpentan-3-ylamino)ethyl]carbamate
SMILESCCC(NCCN(CCOC)C(=O)OC(C)(C)C)C(C)C
InChIInChI=1S/C16H34N2O3/c1-8-14(13(2)3)17-9-10-18(11-12-20-7)15(19)21-16(4,5)6/h13-14,17H,8-12H2,1-7H3
InChIKeyZHSPCZMVWKUFSF-UHFFFAOYSA-N
XLogP2.89
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.46
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[2-[(3-hydroxy-3-methylbutan-2-yl)amino]ethyl]-N-(2-methoxyethyl)carbamate
CID 107256998
tert-butyl N-[2-(2-methylpentan-3-ylamino)ethyl]-N-propan-2-ylcarbamate
CID 107245904
tert-butyl N-[2-(hex-5-en-2-ylamino)ethyl]-N-(2-methoxyethyl)carbamate
CID 104583664
tert-butyl N-(2-methoxyethyl)-N-[2-(1-thiophen-2-ylpropylamino)ethyl]carbamate
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tert-butyl N-[2-[[(2R)-1-ethoxy-3-methylbutan-2-yl]amino]-2-oxoethyl]-N-(2-methoxyethyl)carbamate
CID 99793214
tert-butyl N-[2-[1-(furan-2-yl)propan-2-ylamino]ethyl]-N-(2-methoxyethyl)carbamate
CID 107256902
tert-butyl N-[2-(2-methylpentan-3-ylamino)ethyl]carbamate
CID 112688813
tert-butyl N-[3-[(1-methoxy-3-methylbutan-2-yl)amino]propyl]-N-methylcarbamate
CID 103781260
tert-butyl N-[2-[[1-[4-[(1S)-1-aminoethyl]phenyl]-3-methoxypropyl]amino]ethyl]-N-propylcarbamate
CID 155472986
tert-butyl N-ethyl-N-[2-[(3-methoxy-2-methylpropyl)amino]ethyl]carbamate
CID 102671978
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

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2-methoxyethyl)-N-[2-(2-methylpentan-3-ylamino)ethyl]carbamate?
The IUPAC name of tert-butyl N-(2-methoxyethyl)-N-[2-(2-methylpentan-3-ylamino)ethyl]carbamate (CID 103906265) is tert-butyl N-(2-methoxyethyl)-N-[2-(2-methylpentan-3-ylamino)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-(2-methoxyethyl)-N-[2-(2-methylpentan-3-ylamino)ethyl]carbamate?
The canonical SMILES for tert-butyl N-(2-methoxyethyl)-N-[2-(2-methylpentan-3-ylamino)ethyl]carbamate is CCC(NCCN(CCOC)C(=O)OC(C)(C)C)C(C)C.
What is the InChIKey of tert-butyl N-(2-methoxyethyl)-N-[2-(2-methylpentan-3-ylamino)ethyl]carbamate?
The InChIKey is ZHSPCZMVWKUFSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2O3/c1-8-14(13(2)3)17-9-10-18(11-12-20-7)15(19)21-16(4,5)6/h13-14,17H,8-12H2,1-7H3.
What are the key properties of tert-butyl N-(2-methoxyethyl)-N-[2-(2-methylpentan-3-ylamino)ethyl]carbamate?
tert-butyl N-(2-methoxyethyl)-N-[2-(2-methylpentan-3-ylamino)ethyl]carbamate has a molecular weight of 302.46 g/mol, XLogP of 2.89, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(2-methoxyethyl)-N-[2-(2-methylpentan-3-ylamino)ethyl]carbamate is sourced from PubChem (CID 103906265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).