[1-(phenylmethoxymethyl)-3-tricyclo[3.3.1.03,7]nonanyl] N-tert-butylcarbamate

C22H31NO3 — CID 123779128

IUPAC[1-(phenylmethoxymethyl)-3-tricyclo[3.3.1.03,7]nonanyl] N-tert-butylcarbamate
SMILESCC(C)(C)NC(=O)OC12CC3CC1CC(COCc1ccccc1)(C3)C2
InChIInChI=1S/C22H31NO3/c1-20(2,3)23-19(24)26-22-11-17-9-18(22)12-21(10-17,14-22)15-25-13-16-7-5-4-6-8-16/h4-8,17-18H,9-15H2,1-3H3,(H,23,24)
InChIKeyRWRJHAVNYXMULY-UHFFFAOYSA-N
MW357.49 g/mol
LogP4.68
Rot. Bonds5

About [1-(phenylmethoxymethyl)-3-tricyclo[3.3.1.03,7]nonanyl] N-tert-butylcarbamate

[1-(phenylmethoxymethyl)-3-tricyclo[3.3.1.03,7]nonanyl] N-tert-butylcarbamate (PubChem CID 123779128) has the molecular formula C22H31NO3 and a molecular weight of 357.49 g/mol. Its IUPAC name is [1-(phenylmethoxymethyl)-3-tricyclo[3.3.1.03,7]nonanyl] N-tert-butylcarbamate.

Molecular Properties

Compound Name[1-(phenylmethoxymethyl)-3-tricyclo[3.3.1.03,7]nonanyl] N-tert-butylcarbamate
PubChem CID123779128
Molecular FormulaC22H31NO3
Molecular Weight357.49 g/mol
Exact Mass357.23
IUPAC Name[1-(phenylmethoxymethyl)-3-tricyclo[3.3.1.03,7]nonanyl] N-tert-butylcarbamate
SMILESCC(C)(C)NC(=O)OC12CC3CC1CC(COCc1ccccc1)(C3)C2
InChIInChI=1S/C22H31NO3/c1-20(2,3)23-19(24)26-22-11-17-9-18(22)12-21(10-17,14-22)15-25-13-16-7-5-4-6-8-16/h4-8,17-18H,9-15H2,1-3H3,(H,23,24)
InChIKeyRWRJHAVNYXMULY-UHFFFAOYSA-N
XLogP4.68
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.49
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [1-(phenylmethoxymethyl)-3-tricyclo[3.3.1.03,7]nonanyl] N-tert-butylcarbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(methylamino)-3-(phenylmethoxymethyl)cyclobutane-1-carboxylic acid
CID 58601842
benzyl 4-amino-4-(tert-butylcarbamoyloxy)-2-(hydroxymethyl)cyclohexane-1-carboxylate
CID 174514364
tert-butyl N-[1-(phenylmethoxymethyl)cyclopropyl]carbamate
CID 10934734
tert-butyl N-(1-phenylmethoxy-3-tricyclo[3.3.1.03,7]nonanyl)carbamate
CID 67017894
2-(3-phenylmethoxypropoxy)ethyl N-tert-butylcarbamate
CID 91455636
[(2R)-1-hydroxy-3-phenylmethoxypropan-2-yl] N-tert-butylcarbamate
CID 175101477
cis-tert-butyl (1S,2S)-2-(phenylmethoxymethyl)cyclopropane-1-carboxylate
CID 163289434
[(2R)-1-[3-(hydroxymethyl)morpholin-4-yl]-1-oxo-3-phenylmethoxypropan-2-yl] N-tert-butylcarbamate
CID 174666378
tert-butyl (2S,4R)-4-methyl-2-(phenylmethoxymethyl)pyrrolidine-1-carboxylate
CID 130998757
N-[[2-(phenylmethoxymethyl)-2-bicyclo[2.2.1]heptanyl]methyl]cyclopropanamine
CID 102940477
tert-butyl 2-(phenylmethoxymethyl)azetidine-1-carboxylate
CID 22001466
trans-(1R,2S)-2-(phenylmethoxymethyl)cyclopropane-1-carboxylic acid
CID 86340040

Frequently Asked Questions

What is the IUPAC name of [1-(phenylmethoxymethyl)-3-tricyclo[3.3.1.03,7]nonanyl] N-tert-butylcarbamate?
The IUPAC name of [1-(phenylmethoxymethyl)-3-tricyclo[3.3.1.03,7]nonanyl] N-tert-butylcarbamate (CID 123779128) is [1-(phenylmethoxymethyl)-3-tricyclo[3.3.1.03,7]nonanyl] N-tert-butylcarbamate.
What is the SMILES notation for [1-(phenylmethoxymethyl)-3-tricyclo[3.3.1.03,7]nonanyl] N-tert-butylcarbamate?
The canonical SMILES for [1-(phenylmethoxymethyl)-3-tricyclo[3.3.1.03,7]nonanyl] N-tert-butylcarbamate is CC(C)(C)NC(=O)OC12CC3CC1CC(COCc1ccccc1)(C3)C2.
What is the InChIKey of [1-(phenylmethoxymethyl)-3-tricyclo[3.3.1.03,7]nonanyl] N-tert-butylcarbamate?
The InChIKey is RWRJHAVNYXMULY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31NO3/c1-20(2,3)23-19(24)26-22-11-17-9-18(22)12-21(10-17,14-22)15-25-13-16-7-5-4-6-8-16/h4-8,17-18H,9-15H2,1-3H3,(H,23,24).
What are the key properties of [1-(phenylmethoxymethyl)-3-tricyclo[3.3.1.03,7]nonanyl] N-tert-butylcarbamate?
[1-(phenylmethoxymethyl)-3-tricyclo[3.3.1.03,7]nonanyl] N-tert-butylcarbamate has a molecular weight of 357.49 g/mol, XLogP of 4.68, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(phenylmethoxymethyl)-3-tricyclo[3.3.1.03,7]nonanyl] N-tert-butylcarbamate is sourced from PubChem (CID 123779128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).