tert-butyl N-[(1R,3S)-3-(2-methoxyphenyl)cyclohexyl]carbamate

C18H27NO3 — CID 139378064

IUPACtert-butyl N-[(1R,3S)-3-(2-methoxyphenyl)cyclohexyl]carbamate
SMILESCOc1ccccc1[C@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1
InChIInChI=1S/C18H27NO3/c1-18(2,3)22-17(20)19-14-9-7-8-13(12-14)15-10-5-6-11-16(15)21-4/h5-6,10-11,13-14H,7-9,12H2,1-4H3,(H,19,20)/t13-,14+/m0/s1
InChIKeyZNURGZUWLGCHBC-UONOGXRCSA-N
MW305.42 g/mol
LogP4.25
Rot. Bonds3

About tert-butyl N-[(1R,3S)-3-(2-methoxyphenyl)cyclohexyl]carbamate

tert-butyl N-[(1R,3S)-3-(2-methoxyphenyl)cyclohexyl]carbamate (PubChem CID 139378064) has the molecular formula C18H27NO3 and a molecular weight of 305.42 g/mol. Its IUPAC name is tert-butyl N-[(1R,3S)-3-(2-methoxyphenyl)cyclohexyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1R,3S)-3-(2-methoxyphenyl)cyclohexyl]carbamate
PubChem CID139378064
Molecular FormulaC18H27NO3
Molecular Weight305.42 g/mol
Exact Mass305.20
IUPAC Nametert-butyl N-[(1R,3S)-3-(2-methoxyphenyl)cyclohexyl]carbamate
SMILESCOc1ccccc1[C@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1
InChIInChI=1S/C18H27NO3/c1-18(2,3)22-17(20)19-14-9-7-8-13(12-14)15-10-5-6-11-16(15)21-4/h5-6,10-11,13-14H,7-9,12H2,1-4H3,(H,19,20)/t13-,14+/m0/s1
InChIKeyZNURGZUWLGCHBC-UONOGXRCSA-N
XLogP4.25
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[3-(4-phenylphenyl)cyclohexyl]carbamate
CID 139378275
tert-butyl N-[(1R,3S)-3-(5-amino-2-methylphenyl)cyclohexyl]carbamate
CID 125450247
tert-butyl N-[(1R,3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]carbamate
CID 22884203
tert-butyl N-[(1R,3S)-3-(4-chlorophenyl)cyclohexyl]carbamate
CID 139378065
tert-butyl N-[(1R,3S)-3-(3-methylphenyl)cyclohexyl]carbamate
CID 139378150
tert-butyl N-[3-[(2-methoxyphenyl)methylamino]cyclopentyl]carbamate
CID 103719601
tert-butyl N-[5-(2-methoxyphenyl)-3-oxocyclohexen-1-yl]carbamate
CID 171489343
tert-butyl N-[3-(4-acetamidoanilino)cyclohexyl]carbamate
CID 113247856
tert-butyl N-[2-(2-methoxyphenyl)pyrrolidin-3-yl]carbamate
CID 84815022
1-(3-chlorocyclohexyl)-2-methoxybenzene
CID 64516358
tert-butyl N-[3-(2-bromo-6-methoxyanilino)cyclobutyl]carbamate
CID 178183775
tert-butyl N-[3-(2,3-dihydro-1H-inden-2-ylamino)cyclopentyl]carbamate
CID 107849928

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1R,3S)-3-(2-methoxyphenyl)cyclohexyl]carbamate?
The IUPAC name of tert-butyl N-[(1R,3S)-3-(2-methoxyphenyl)cyclohexyl]carbamate (CID 139378064) is tert-butyl N-[(1R,3S)-3-(2-methoxyphenyl)cyclohexyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1R,3S)-3-(2-methoxyphenyl)cyclohexyl]carbamate?
The canonical SMILES for tert-butyl N-[(1R,3S)-3-(2-methoxyphenyl)cyclohexyl]carbamate is COc1ccccc1[C@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl N-[(1R,3S)-3-(2-methoxyphenyl)cyclohexyl]carbamate?
The InChIKey is ZNURGZUWLGCHBC-UONOGXRCSA-N. The full InChI is InChI=1S/C18H27NO3/c1-18(2,3)22-17(20)19-14-9-7-8-13(12-14)15-10-5-6-11-16(15)21-4/h5-6,10-11,13-14H,7-9,12H2,1-4H3,(H,19,20)/t13-,14+/m0/s1.
What are the key properties of tert-butyl N-[(1R,3S)-3-(2-methoxyphenyl)cyclohexyl]carbamate?
tert-butyl N-[(1R,3S)-3-(2-methoxyphenyl)cyclohexyl]carbamate has a molecular weight of 305.42 g/mol, XLogP of 4.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1R,3S)-3-(2-methoxyphenyl)cyclohexyl]carbamate is sourced from PubChem (CID 139378064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).