tert-butyl N-(1-phenylmethoxy-3-tricyclo[3.3.1.03,7]nonanyl)carbamate

C21H29NO3 — CID 67017894

IUPACtert-butyl N-(1-phenylmethoxy-3-tricyclo[3.3.1.03,7]nonanyl)carbamate
SMILESCC(C)(C)OC(=O)NC12CC3CC1CC(OCc1ccccc1)(C3)C2
InChIInChI=1S/C21H29NO3/c1-19(2,3)25-18(23)22-21-11-16-9-17(21)12-20(10-16,14-21)24-13-15-7-5-4-6-8-15/h4-8,16-17H,9-14H2,1-3H3,(H,22,23)
InChIKeyPICGFAUUKXYJMK-UHFFFAOYSA-N
MW343.47 g/mol
LogP4.43
Rot. Bonds4

About tert-butyl N-(1-phenylmethoxy-3-tricyclo[3.3.1.03,7]nonanyl)carbamate

tert-butyl N-(1-phenylmethoxy-3-tricyclo[3.3.1.03,7]nonanyl)carbamate (PubChem CID 67017894) has the molecular formula C21H29NO3 and a molecular weight of 343.47 g/mol. Its IUPAC name is tert-butyl N-(1-phenylmethoxy-3-tricyclo[3.3.1.03,7]nonanyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(1-phenylmethoxy-3-tricyclo[3.3.1.03,7]nonanyl)carbamate
PubChem CID67017894
Molecular FormulaC21H29NO3
Molecular Weight343.47 g/mol
Exact Mass343.21
IUPAC Nametert-butyl N-(1-phenylmethoxy-3-tricyclo[3.3.1.03,7]nonanyl)carbamate
SMILESCC(C)(C)OC(=O)NC12CC3CC1CC(OCc1ccccc1)(C3)C2
InChIInChI=1S/C21H29NO3/c1-19(2,3)25-18(23)22-21-11-16-9-17(21)12-20(10-16,14-21)24-13-15-7-5-4-6-8-15/h4-8,16-17H,9-14H2,1-3H3,(H,22,23)
InChIKeyPICGFAUUKXYJMK-UHFFFAOYSA-N
XLogP4.43
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(1-phenylmethoxy-3-tricyclo[3.3.1.03,7]nonanyl)carbamate?
The IUPAC name of tert-butyl N-(1-phenylmethoxy-3-tricyclo[3.3.1.03,7]nonanyl)carbamate (CID 67017894) is tert-butyl N-(1-phenylmethoxy-3-tricyclo[3.3.1.03,7]nonanyl)carbamate.
What is the SMILES notation for tert-butyl N-(1-phenylmethoxy-3-tricyclo[3.3.1.03,7]nonanyl)carbamate?
The canonical SMILES for tert-butyl N-(1-phenylmethoxy-3-tricyclo[3.3.1.03,7]nonanyl)carbamate is CC(C)(C)OC(=O)NC12CC3CC1CC(OCc1ccccc1)(C3)C2.
What is the InChIKey of tert-butyl N-(1-phenylmethoxy-3-tricyclo[3.3.1.03,7]nonanyl)carbamate?
The InChIKey is PICGFAUUKXYJMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29NO3/c1-19(2,3)25-18(23)22-21-11-16-9-17(21)12-20(10-16,14-21)24-13-15-7-5-4-6-8-15/h4-8,16-17H,9-14H2,1-3H3,(H,22,23).
What are the key properties of tert-butyl N-(1-phenylmethoxy-3-tricyclo[3.3.1.03,7]nonanyl)carbamate?
tert-butyl N-(1-phenylmethoxy-3-tricyclo[3.3.1.03,7]nonanyl)carbamate has a molecular weight of 343.47 g/mol, XLogP of 4.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(1-phenylmethoxy-3-tricyclo[3.3.1.03,7]nonanyl)carbamate is sourced from PubChem (CID 67017894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).