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

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

tert-butyl N-[1-(phenylmethoxymethyl)cyclopropyl]carbamate
CID 10934734
1-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylmethoxycyclopropane-1-carboxylic acid
CID 143333229
benzyl N-[4-[(2-methylpropan-2-yl)oxycarbonylamino]-1-bicyclo[2.2.2]octanyl]carbamate
CID 135397622
trans-benzyl (1S,2S)-2-ethyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropane-1-carboxylate
CID 11023608
benzyl (1R,4R,7R)-4-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]-3-azabicyclo[5.1.0]octane-3-carboxylate
CID 155622735
tert-butyl N-[(1S)-1-methyl-2-phenylmethoxycyclobutyl]carbamate
CID 70826140
methyl (2S,3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxo-3-phenylmethoxyazetidine-2-carboxylate
CID 154477264
tert-butyl N-[1-(2-phenylmethoxyethyl)cyclopropyl]carbamate
CID 118177257
trans-benzyl (1S,3R)-3-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylate
CID 15431586
3-[(2-methylpropan-2-yl)oxycarbonylamino]-8-phenylmethoxycarbonyl-8-azabicyclo[3.2.1]octane-3-carboxylic acid
CID 171936565
tert-butyl N-[(1R,3R,5S)-3-(hydroxymethyl)-1-bicyclo[3.1.0]hexanyl]carbamate
CID 10036692
benzyl 2-amino-3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]oxetan-3-yl]propanoate
CID 135742613

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).