tert-butyl N-[[7-[3-(2-hydroxyethoxy)phenyl]-3-bicyclo[3.3.1]nonanyl]methyl]carbamate

C23H35NO4 — CID 138666601

IUPACtert-butyl N-[[7-[3-(2-hydroxyethoxy)phenyl]-3-bicyclo[3.3.1]nonanyl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCC1CC2CC(C1)CC(c1cccc(OCCO)c1)C2
InChIInChI=1S/C23H35NO4/c1-23(2,3)28-22(26)24-15-18-10-16-9-17(11-18)13-20(12-16)19-5-4-6-21(14-19)27-8-7-25/h4-6,14,16-18,20,25H,7-13,15H2,1-3H3,(H,24,26)
InChIKeySCTITBUUSIYWPO-UHFFFAOYSA-N
MW389.54 g/mol
LogP4.49
Rot. Bonds6

About tert-butyl N-[[7-[3-(2-hydroxyethoxy)phenyl]-3-bicyclo[3.3.1]nonanyl]methyl]carbamate

tert-butyl N-[[7-[3-(2-hydroxyethoxy)phenyl]-3-bicyclo[3.3.1]nonanyl]methyl]carbamate (PubChem CID 138666601) has the molecular formula C23H35NO4 and a molecular weight of 389.54 g/mol. Its IUPAC name is tert-butyl N-[[7-[3-(2-hydroxyethoxy)phenyl]-3-bicyclo[3.3.1]nonanyl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[7-[3-(2-hydroxyethoxy)phenyl]-3-bicyclo[3.3.1]nonanyl]methyl]carbamate
PubChem CID138666601
Molecular FormulaC23H35NO4
Molecular Weight389.54 g/mol
Exact Mass389.26
IUPAC Nametert-butyl N-[[7-[3-(2-hydroxyethoxy)phenyl]-3-bicyclo[3.3.1]nonanyl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCC1CC2CC(C1)CC(c1cccc(OCCO)c1)C2
InChIInChI=1S/C23H35NO4/c1-23(2,3)28-22(26)24-15-18-10-16-9-17(11-18)13-20(12-16)19-5-4-6-21(14-19)27-8-7-25/h4-6,14,16-18,20,25H,7-13,15H2,1-3H3,(H,24,26)
InChIKeySCTITBUUSIYWPO-UHFFFAOYSA-N
XLogP4.49
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.54
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-[[7-[3-(2-hydroxyethoxy)phenyl]-3-bicyclo[3.3.1]nonanyl]methyl]carbamate with MolForge

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Related Compounds

tert-butyl N-[[3-(2-hydroxyethoxy)phenyl]methyl]carbamate
CID 167192366
tert-butyl N-[2-(3-tert-butylphenoxy)ethyl]carbamate
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tert-butyl N-[2-[3-[(3-methylcyclobutyl)amino]phenoxy]ethyl]carbamate
CID 104860245
tert-butyl N-[[2-[3-(3-chlorophenyl)phenyl]cyclopropyl]methyl]carbamate
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CID 68922177
2-[3-(1-methylpyrrolidin-3-yl)phenoxy]ethanol
CID 115032728
tert-butyl N-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclohexyl]methyl]carbamate
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tert-butyl N-[(4-phenylpyrrolidin-3-yl)methyl]carbamate
CID 53439169

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[7-[3-(2-hydroxyethoxy)phenyl]-3-bicyclo[3.3.1]nonanyl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[7-[3-(2-hydroxyethoxy)phenyl]-3-bicyclo[3.3.1]nonanyl]methyl]carbamate (CID 138666601) is tert-butyl N-[[7-[3-(2-hydroxyethoxy)phenyl]-3-bicyclo[3.3.1]nonanyl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[7-[3-(2-hydroxyethoxy)phenyl]-3-bicyclo[3.3.1]nonanyl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[7-[3-(2-hydroxyethoxy)phenyl]-3-bicyclo[3.3.1]nonanyl]methyl]carbamate is CC(C)(C)OC(=O)NCC1CC2CC(C1)CC(c1cccc(OCCO)c1)C2.
What is the InChIKey of tert-butyl N-[[7-[3-(2-hydroxyethoxy)phenyl]-3-bicyclo[3.3.1]nonanyl]methyl]carbamate?
The InChIKey is SCTITBUUSIYWPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35NO4/c1-23(2,3)28-22(26)24-15-18-10-16-9-17(11-18)13-20(12-16)19-5-4-6-21(14-19)27-8-7-25/h4-6,14,16-18,20,25H,7-13,15H2,1-3H3,(H,24,26).
What are the key properties of tert-butyl N-[[7-[3-(2-hydroxyethoxy)phenyl]-3-bicyclo[3.3.1]nonanyl]methyl]carbamate?
tert-butyl N-[[7-[3-(2-hydroxyethoxy)phenyl]-3-bicyclo[3.3.1]nonanyl]methyl]carbamate has a molecular weight of 389.54 g/mol, XLogP of 4.49, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[7-[3-(2-hydroxyethoxy)phenyl]-3-bicyclo[3.3.1]nonanyl]methyl]carbamate is sourced from PubChem (CID 138666601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).