tert-butyl N-[1-cyclopropyl-2-[(2,2,5,5-tetramethyloxolan-3-yl)amino]ethyl]carbamate

C18H34N2O3 — CID 103905930

IUPACtert-butyl N-[1-cyclopropyl-2-[(2,2,5,5-tetramethyloxolan-3-yl)amino]ethyl]carbamate
SMILESCC(C)(C)OC(=O)NC(CNC1CC(C)(C)OC1(C)C)C1CC1
InChIInChI=1S/C18H34N2O3/c1-16(2,3)22-15(21)20-13(12-8-9-12)11-19-14-10-17(4,5)23-18(14,6)7/h12-14,19H,8-11H2,1-7H3,(H,20,21)
InChIKeyIZQGVTCHNBSHTD-UHFFFAOYSA-N
MW326.48 g/mol
LogP3.23
Rot. Bonds5

About tert-butyl N-[1-cyclopropyl-2-[(2,2,5,5-tetramethyloxolan-3-yl)amino]ethyl]carbamate

tert-butyl N-[1-cyclopropyl-2-[(2,2,5,5-tetramethyloxolan-3-yl)amino]ethyl]carbamate (PubChem CID 103905930) has the molecular formula C18H34N2O3 and a molecular weight of 326.48 g/mol. Its IUPAC name is tert-butyl N-[1-cyclopropyl-2-[(2,2,5,5-tetramethyloxolan-3-yl)amino]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-cyclopropyl-2-[(2,2,5,5-tetramethyloxolan-3-yl)amino]ethyl]carbamate
PubChem CID103905930
Molecular FormulaC18H34N2O3
Molecular Weight326.48 g/mol
Exact Mass326.26
IUPAC Nametert-butyl N-[1-cyclopropyl-2-[(2,2,5,5-tetramethyloxolan-3-yl)amino]ethyl]carbamate
SMILESCC(C)(C)OC(=O)NC(CNC1CC(C)(C)OC1(C)C)C1CC1
InChIInChI=1S/C18H34N2O3/c1-16(2,3)22-15(21)20-13(12-8-9-12)11-19-14-10-17(4,5)23-18(14,6)7/h12-14,19H,8-11H2,1-7H3,(H,20,21)
InChIKeyIZQGVTCHNBSHTD-UHFFFAOYSA-N
XLogP3.23
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.48
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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tert-butyl N-[1-cyclopropyl-2-(thian-4-ylamino)ethyl]carbamate
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tert-butyl N-[1-cyclopropyl-2-[(2,6-dimethylcyclohexyl)amino]ethyl]carbamate
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tert-butyl N-[2-[(1-acetylpiperidin-4-yl)amino]-1-cyclopropylethyl]carbamate
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tert-butyl N-[1-cyclopropyl-2-[(2-ethylcyclohexyl)amino]ethyl]carbamate
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tert-butyl N-[2-[(2,2,5,5-tetramethyloxolan-3-yl)amino]pentyl]carbamate
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(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(oxan-4-yl)propanoic acid
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tert-butyl N-[1-cyclopropyl-2-[(3-methoxy-3-methylbutyl)amino]ethyl]carbamate
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tert-butyl N-[1-cyclopropyl-2-[(1-prop-2-ynylpiperidin-4-yl)amino]ethyl]carbamate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-cyclopropyl-2-[(2,2,5,5-tetramethyloxolan-3-yl)amino]ethyl]carbamate?
The IUPAC name of tert-butyl N-[1-cyclopropyl-2-[(2,2,5,5-tetramethyloxolan-3-yl)amino]ethyl]carbamate (CID 103905930) is tert-butyl N-[1-cyclopropyl-2-[(2,2,5,5-tetramethyloxolan-3-yl)amino]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[1-cyclopropyl-2-[(2,2,5,5-tetramethyloxolan-3-yl)amino]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[1-cyclopropyl-2-[(2,2,5,5-tetramethyloxolan-3-yl)amino]ethyl]carbamate is CC(C)(C)OC(=O)NC(CNC1CC(C)(C)OC1(C)C)C1CC1.
What is the InChIKey of tert-butyl N-[1-cyclopropyl-2-[(2,2,5,5-tetramethyloxolan-3-yl)amino]ethyl]carbamate?
The InChIKey is IZQGVTCHNBSHTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2O3/c1-16(2,3)22-15(21)20-13(12-8-9-12)11-19-14-10-17(4,5)23-18(14,6)7/h12-14,19H,8-11H2,1-7H3,(H,20,21).
What are the key properties of tert-butyl N-[1-cyclopropyl-2-[(2,2,5,5-tetramethyloxolan-3-yl)amino]ethyl]carbamate?
tert-butyl N-[1-cyclopropyl-2-[(2,2,5,5-tetramethyloxolan-3-yl)amino]ethyl]carbamate has a molecular weight of 326.48 g/mol, XLogP of 3.23, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-cyclopropyl-2-[(2,2,5,5-tetramethyloxolan-3-yl)amino]ethyl]carbamate is sourced from PubChem (CID 103905930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).