(5-methyl-2-propan-2-ylcyclohexyl) N-[2-(4-methoxyphenyl)ethyl]carbamate

C20H31NO3 — CID 75252742

IUPAC(5-methyl-2-propan-2-ylcyclohexyl) N-[2-(4-methoxyphenyl)ethyl]carbamate
SMILESCOc1ccc(CCNC(=O)OC2CC(C)CCC2C(C)C)cc1
InChIInChI=1S/C20H31NO3/c1-14(2)18-10-5-15(3)13-19(18)24-20(22)21-12-11-16-6-8-17(23-4)9-7-16/h6-9,14-15,18-19H,5,10-13H2,1-4H3,(H,21,22)
InChIKeyUBHXBBLZJHTDEL-UHFFFAOYSA-N
MW333.47 g/mol
LogP4.42
Rot. Bonds6

About (5-methyl-2-propan-2-ylcyclohexyl) N-[2-(4-methoxyphenyl)ethyl]carbamate

(5-methyl-2-propan-2-ylcyclohexyl) N-[2-(4-methoxyphenyl)ethyl]carbamate (PubChem CID 75252742) has the molecular formula C20H31NO3 and a molecular weight of 333.47 g/mol. Its IUPAC name is (5-methyl-2-propan-2-ylcyclohexyl) N-[2-(4-methoxyphenyl)ethyl]carbamate.

Molecular Properties

Compound Name(5-methyl-2-propan-2-ylcyclohexyl) N-[2-(4-methoxyphenyl)ethyl]carbamate
PubChem CID75252742
Molecular FormulaC20H31NO3
Molecular Weight333.47 g/mol
Exact Mass333.23
IUPAC Name(5-methyl-2-propan-2-ylcyclohexyl) N-[2-(4-methoxyphenyl)ethyl]carbamate
SMILESCOc1ccc(CCNC(=O)OC2CC(C)CCC2C(C)C)cc1
InChIInChI=1S/C20H31NO3/c1-14(2)18-10-5-15(3)13-19(18)24-20(22)21-12-11-16-6-8-17(23-4)9-7-16/h6-9,14-15,18-19H,5,10-13H2,1-4H3,(H,21,22)
InChIKeyUBHXBBLZJHTDEL-UHFFFAOYSA-N
XLogP4.42
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.47
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(1R,5R)-5-methyl-2-propan-2-ylcyclohexyl] N-(2-pyridin-2-ylethyl)carbamate
CID 134351227
[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl] N-pentylcarbamate
CID 58715353
(5-methyl-2-propan-2-ylcyclohexyl) 2-(4-methoxypyridin-1-ium-1-yl)acetate
CID 58592321
[(1S,5S)-5-methyl-2-propan-2-ylcyclohexyl] (E)-3-(4-methoxyphenyl)prop-2-enoate
CID 144774700
[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] (2R,4R)-5-(4-methoxyphenyl)-2-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate
CID 67633199
[(2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 3-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxycarbonylamino]propyl carbonate
CID 58534203
bis[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] propanedioate
CID 14226058
(5-methyl-2-propan-2-ylcyclohexyl) 2-hydroxy-2-(6-methoxynaphthalen-2-yl)propanoate
CID 84820404
[(2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] N-anilinocarbamate
CID 154685218
(2R)-2-hydroxy-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 175743514
(1R,2S,5R)-N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
CID 59992202
N-[2-(4-methoxyphenyl)ethyl]-2,6-dimethylpiperidine-1-carboxamide
CID 108901943

Frequently Asked Questions

What is the IUPAC name of (5-methyl-2-propan-2-ylcyclohexyl) N-[2-(4-methoxyphenyl)ethyl]carbamate?
The IUPAC name of (5-methyl-2-propan-2-ylcyclohexyl) N-[2-(4-methoxyphenyl)ethyl]carbamate (CID 75252742) is (5-methyl-2-propan-2-ylcyclohexyl) N-[2-(4-methoxyphenyl)ethyl]carbamate.
What is the SMILES notation for (5-methyl-2-propan-2-ylcyclohexyl) N-[2-(4-methoxyphenyl)ethyl]carbamate?
The canonical SMILES for (5-methyl-2-propan-2-ylcyclohexyl) N-[2-(4-methoxyphenyl)ethyl]carbamate is COc1ccc(CCNC(=O)OC2CC(C)CCC2C(C)C)cc1.
What is the InChIKey of (5-methyl-2-propan-2-ylcyclohexyl) N-[2-(4-methoxyphenyl)ethyl]carbamate?
The InChIKey is UBHXBBLZJHTDEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31NO3/c1-14(2)18-10-5-15(3)13-19(18)24-20(22)21-12-11-16-6-8-17(23-4)9-7-16/h6-9,14-15,18-19H,5,10-13H2,1-4H3,(H,21,22).
What are the key properties of (5-methyl-2-propan-2-ylcyclohexyl) N-[2-(4-methoxyphenyl)ethyl]carbamate?
(5-methyl-2-propan-2-ylcyclohexyl) N-[2-(4-methoxyphenyl)ethyl]carbamate has a molecular weight of 333.47 g/mol, XLogP of 4.42, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-2-propan-2-ylcyclohexyl) N-[2-(4-methoxyphenyl)ethyl]carbamate is sourced from PubChem (CID 75252742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).