[(1R,2S)-2-[(dimethylamino)methyl]cyclohexyl] N-(2-propoxyphenyl)carbamate

C19H30N2O3 — CID 44724516

IUPAC[(1R,2S)-2-[(dimethylamino)methyl]cyclohexyl] N-(2-propoxyphenyl)carbamate
SMILESCCCOc1ccccc1NC(=O)O[C@@H]1CCCC[C@H]1CN(C)C
InChIInChI=1S/C19H30N2O3/c1-4-13-23-18-12-8-6-10-16(18)20-19(22)24-17-11-7-5-9-15(17)14-21(2)3/h6,8,10,12,15,17H,4-5,7,9,11,13-14H2,1-3H3,(H,20,22)/t15-,17+/m0/s1
InChIKeyXNGFZZGRNBBLAS-DOTOQJQBSA-N
MW334.46 g/mol
LogP4.14
Rot. Bonds7

About [(1R,2S)-2-[(dimethylamino)methyl]cyclohexyl] N-(2-propoxyphenyl)carbamate

[(1R,2S)-2-[(dimethylamino)methyl]cyclohexyl] N-(2-propoxyphenyl)carbamate (PubChem CID 44724516) has the molecular formula C19H30N2O3 and a molecular weight of 334.46 g/mol. Its IUPAC name is [(1R,2S)-2-[(dimethylamino)methyl]cyclohexyl] N-(2-propoxyphenyl)carbamate.

Molecular Properties

Compound Name[(1R,2S)-2-[(dimethylamino)methyl]cyclohexyl] N-(2-propoxyphenyl)carbamate
PubChem CID44724516
Molecular FormulaC19H30N2O3
Molecular Weight334.46 g/mol
Exact Mass334.23
IUPAC Name[(1R,2S)-2-[(dimethylamino)methyl]cyclohexyl] N-(2-propoxyphenyl)carbamate
SMILESCCCOc1ccccc1NC(=O)O[C@@H]1CCCC[C@H]1CN(C)C
InChIInChI=1S/C19H30N2O3/c1-4-13-23-18-12-8-6-10-16(18)20-19(22)24-17-11-7-5-9-15(17)14-21(2)3/h6,8,10,12,15,17H,4-5,7,9,11,13-14H2,1-3H3,(H,20,22)/t15-,17+/m0/s1
InChIKeyXNGFZZGRNBBLAS-DOTOQJQBSA-N
XLogP4.14
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[(dimethylamino)methyl]cyclohexyl] N-(2-heptoxyphenyl)carbamate
CID 23277001
[(1S,2R)-2-[(dimethylamino)methyl]cycloheptyl] N-(2-octoxyphenyl)carbamate
CID 53493555
[(1R,2R)-2-[(dimethylamino)methyl]cycloheptyl] N-(2-heptoxyphenyl)carbamate
CID 53493700
[2-(piperidin-1-ylmethyl)cycloheptyl] N-(2-butoxyphenyl)carbamate;hydrochloride
CID 24836161
[2-(piperidin-1-ylmethyl)cycloheptyl] N-(2-ethoxyphenyl)carbamate;hydrochloride
CID 24836212
methyl N-(2-propoxyphenyl)carbamate
CID 19872099
1-cyclohexyl-3-(2-propoxyphenyl)urea
CID 47103328
[(1R,2S)-2-[(dimethylamino)methyl]cyclohexyl] benzoate
CID 44722542
[1-(dimethylamino)cyclohexyl]methyl N-(2-propoxyphenyl)carbamate
CID 4589541
[(2S,3S)-3-(dimethylamino)-2-bicyclo[2.2.2]octanyl] N-(2-heptoxyphenyl)carbamate;hydrochloride
CID 3054992
1-azabicyclo[2.2.2]octan-3-yl N-(2-hexoxyphenyl)carbamate
CID 3073712
(2-methylcyclohexyl) N-(2-methoxyphenyl)carbamate
CID 3641247

Frequently Asked Questions

What is the IUPAC name of [(1R,2S)-2-[(dimethylamino)methyl]cyclohexyl] N-(2-propoxyphenyl)carbamate?
The IUPAC name of [(1R,2S)-2-[(dimethylamino)methyl]cyclohexyl] N-(2-propoxyphenyl)carbamate (CID 44724516) is [(1R,2S)-2-[(dimethylamino)methyl]cyclohexyl] N-(2-propoxyphenyl)carbamate.
What is the SMILES notation for [(1R,2S)-2-[(dimethylamino)methyl]cyclohexyl] N-(2-propoxyphenyl)carbamate?
The canonical SMILES for [(1R,2S)-2-[(dimethylamino)methyl]cyclohexyl] N-(2-propoxyphenyl)carbamate is CCCOc1ccccc1NC(=O)O[C@@H]1CCCC[C@H]1CN(C)C.
What is the InChIKey of [(1R,2S)-2-[(dimethylamino)methyl]cyclohexyl] N-(2-propoxyphenyl)carbamate?
The InChIKey is XNGFZZGRNBBLAS-DOTOQJQBSA-N. The full InChI is InChI=1S/C19H30N2O3/c1-4-13-23-18-12-8-6-10-16(18)20-19(22)24-17-11-7-5-9-15(17)14-21(2)3/h6,8,10,12,15,17H,4-5,7,9,11,13-14H2,1-3H3,(H,20,22)/t15-,17+/m0/s1.
What are the key properties of [(1R,2S)-2-[(dimethylamino)methyl]cyclohexyl] N-(2-propoxyphenyl)carbamate?
[(1R,2S)-2-[(dimethylamino)methyl]cyclohexyl] N-(2-propoxyphenyl)carbamate has a molecular weight of 334.46 g/mol, XLogP of 4.14, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2S)-2-[(dimethylamino)methyl]cyclohexyl] N-(2-propoxyphenyl)carbamate is sourced from PubChem (CID 44724516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).