[4-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-2-methoxyphenyl] N-phenylcarbamate

C21H23NO3 — CID 11911613

IUPAC[4-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-2-methoxyphenyl] N-phenylcarbamate
SMILESCOc1cc([C@@H]2C[C@H]3CC[C@@H]2C3)ccc1OC(=O)Nc1ccccc1
InChIInChI=1S/C21H23NO3/c1-24-20-13-16(18-12-14-7-8-15(18)11-14)9-10-19(20)25-21(23)22-17-5-3-2-4-6-17/h2-6,9-10,13-15,18H,7-8,11-12H2,1H3,(H,22,23)/t14-,15+,18+/m0/s1
InChIKeyBEGPRXZENQASEA-HDMKZQKVSA-N
MW337.42 g/mol
LogP5.21
Rot. Bonds4

About [4-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-2-methoxyphenyl] N-phenylcarbamate

[4-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-2-methoxyphenyl] N-phenylcarbamate (PubChem CID 11911613) has the molecular formula C21H23NO3 and a molecular weight of 337.42 g/mol. Its IUPAC name is [4-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-2-methoxyphenyl] N-phenylcarbamate.

Molecular Properties

Compound Name[4-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-2-methoxyphenyl] N-phenylcarbamate
PubChem CID11911613
Molecular FormulaC21H23NO3
Molecular Weight337.42 g/mol
Exact Mass337.17
IUPAC Name[4-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-2-methoxyphenyl] N-phenylcarbamate
SMILESCOc1cc([C@@H]2C[C@H]3CC[C@@H]2C3)ccc1OC(=O)Nc1ccccc1
InChIInChI=1S/C21H23NO3/c1-24-20-13-16(18-12-14-7-8-15(18)11-14)9-10-19(20)25-21(23)22-17-5-3-2-4-6-17/h2-6,9-10,13-15,18H,7-8,11-12H2,1H3,(H,22,23)/t14-,15+,18+/m0/s1
InChIKeyBEGPRXZENQASEA-HDMKZQKVSA-N
XLogP5.21
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.42
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [4-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-2-methoxyphenyl] N-phenylcarbamate with MolForge

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Related Compounds

[3-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]phenyl] N-phenylcarbamate
CID 7011642
[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]methyl N-phenylcarbamate
CID 98115390
phenyl N-(3-hydroxy-4-methoxyphenyl)carbamate
CID 60637496
(1S,4R)-2-phenylbicyclo[2.2.1]heptane
CID 10965003
(1R,2R,4S)-2-(4-methoxyphenyl)bicyclo[2.2.1]heptane
CID 101158229
(3R,4S)-4-(3-cyclopentyloxy-4-methoxyphenyl)-1-methyl-N-phenylpyrrolidine-3-carboxamide
CID 122386187
cis-methyl (1S,2R)-2-(3,4-dimethoxyphenyl)cyclopropane-1-carboxylate
CID 125470953
(1S,2R,4S)-N-[3-(methanesulfonamido)-4-methoxyphenyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 98785794
N'-(3,4-dimethoxyphenyl)-N-phenyloxamide
CID 44999686
1-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-3-phenylurea
CID 11892921
4-[(1R,2R)-2-(3,4-dimethoxyphenyl)cyclopropyl]-1,2-dimethoxybenzene
CID 71406141
phenyl N-(3-fluoro-4-methoxyphenyl)carbamate
CID 61215909

Frequently Asked Questions

What is the IUPAC name of [4-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-2-methoxyphenyl] N-phenylcarbamate?
The IUPAC name of [4-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-2-methoxyphenyl] N-phenylcarbamate (CID 11911613) is [4-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-2-methoxyphenyl] N-phenylcarbamate.
What is the SMILES notation for [4-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-2-methoxyphenyl] N-phenylcarbamate?
The canonical SMILES for [4-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-2-methoxyphenyl] N-phenylcarbamate is COc1cc([C@@H]2C[C@H]3CC[C@@H]2C3)ccc1OC(=O)Nc1ccccc1.
What is the InChIKey of [4-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-2-methoxyphenyl] N-phenylcarbamate?
The InChIKey is BEGPRXZENQASEA-HDMKZQKVSA-N. The full InChI is InChI=1S/C21H23NO3/c1-24-20-13-16(18-12-14-7-8-15(18)11-14)9-10-19(20)25-21(23)22-17-5-3-2-4-6-17/h2-6,9-10,13-15,18H,7-8,11-12H2,1H3,(H,22,23)/t14-,15+,18+/m0/s1.
What are the key properties of [4-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-2-methoxyphenyl] N-phenylcarbamate?
[4-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-2-methoxyphenyl] N-phenylcarbamate has a molecular weight of 337.42 g/mol, XLogP of 5.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-2-methoxyphenyl] N-phenylcarbamate is sourced from PubChem (CID 11911613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).