tert-butyl N-ethyl-N-[3-[2-(2-hydroxyethyl)cyclopropyl]butyl]carbamate

C16H31NO3 — CID 70791754

IUPACtert-butyl N-ethyl-N-[3-[2-(2-hydroxyethyl)cyclopropyl]butyl]carbamate
SMILESCCN(CCC(C)C1CC1CCO)C(=O)OC(C)(C)C
InChIInChI=1S/C16H31NO3/c1-6-17(15(19)20-16(3,4)5)9-7-12(2)14-11-13(14)8-10-18/h12-14,18H,6-11H2,1-5H3
InChIKeyFBLNOEQZUQMWHI-UHFFFAOYSA-N
MW285.43 g/mol
LogP3.29
Rot. Bonds7

About tert-butyl N-ethyl-N-[3-[2-(2-hydroxyethyl)cyclopropyl]butyl]carbamate

tert-butyl N-ethyl-N-[3-[2-(2-hydroxyethyl)cyclopropyl]butyl]carbamate (PubChem CID 70791754) has the molecular formula C16H31NO3 and a molecular weight of 285.43 g/mol. Its IUPAC name is tert-butyl N-ethyl-N-[3-[2-(2-hydroxyethyl)cyclopropyl]butyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-ethyl-N-[3-[2-(2-hydroxyethyl)cyclopropyl]butyl]carbamate
PubChem CID70791754
Molecular FormulaC16H31NO3
Molecular Weight285.43 g/mol
Exact Mass285.23
IUPAC Nametert-butyl N-ethyl-N-[3-[2-(2-hydroxyethyl)cyclopropyl]butyl]carbamate
SMILESCCN(CCC(C)C1CC1CCO)C(=O)OC(C)(C)C
InChIInChI=1S/C16H31NO3/c1-6-17(15(19)20-16(3,4)5)9-7-12(2)14-11-13(14)8-10-18/h12-14,18H,6-11H2,1-5H3
InChIKeyFBLNOEQZUQMWHI-UHFFFAOYSA-N
XLogP3.29
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-ethyl-N-[3-[2-(2-hydroxyethyl)cyclopropyl]butyl]carbamate?
The IUPAC name of tert-butyl N-ethyl-N-[3-[2-(2-hydroxyethyl)cyclopropyl]butyl]carbamate (CID 70791754) is tert-butyl N-ethyl-N-[3-[2-(2-hydroxyethyl)cyclopropyl]butyl]carbamate.
What is the SMILES notation for tert-butyl N-ethyl-N-[3-[2-(2-hydroxyethyl)cyclopropyl]butyl]carbamate?
The canonical SMILES for tert-butyl N-ethyl-N-[3-[2-(2-hydroxyethyl)cyclopropyl]butyl]carbamate is CCN(CCC(C)C1CC1CCO)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-ethyl-N-[3-[2-(2-hydroxyethyl)cyclopropyl]butyl]carbamate?
The InChIKey is FBLNOEQZUQMWHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO3/c1-6-17(15(19)20-16(3,4)5)9-7-12(2)14-11-13(14)8-10-18/h12-14,18H,6-11H2,1-5H3.
What are the key properties of tert-butyl N-ethyl-N-[3-[2-(2-hydroxyethyl)cyclopropyl]butyl]carbamate?
tert-butyl N-ethyl-N-[3-[2-(2-hydroxyethyl)cyclopropyl]butyl]carbamate has a molecular weight of 285.43 g/mol, XLogP of 3.29, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-ethyl-N-[3-[2-(2-hydroxyethyl)cyclopropyl]butyl]carbamate is sourced from PubChem (CID 70791754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).