[2-[(1R)-1-cyclopropylethyl]-6-propan-2-ylphenyl] N-propan-2-ylcarbamate

C18H27NO2 — CID 118909693

IUPAC[2-[(1R)-1-cyclopropylethyl]-6-propan-2-ylphenyl] N-propan-2-ylcarbamate
SMILESCC(C)NC(=O)Oc1c(C(C)C)cccc1[C@H](C)C1CC1
InChIInChI=1S/C18H27NO2/c1-11(2)15-7-6-8-16(13(5)14-9-10-14)17(15)21-18(20)19-12(3)4/h6-8,11-14H,9-10H2,1-5H3,(H,19,20)/t13-/m1/s1
InChIKeyXQWSHTIJGXBGLL-CYBMUJFWSA-N
MW289.42 g/mol
LogP4.82
Rot. Bonds5

About [2-[(1R)-1-cyclopropylethyl]-6-propan-2-ylphenyl] N-propan-2-ylcarbamate

[2-[(1R)-1-cyclopropylethyl]-6-propan-2-ylphenyl] N-propan-2-ylcarbamate (PubChem CID 118909693) has the molecular formula C18H27NO2 and a molecular weight of 289.42 g/mol. Its IUPAC name is [2-[(1R)-1-cyclopropylethyl]-6-propan-2-ylphenyl] N-propan-2-ylcarbamate.

Molecular Properties

Compound Name[2-[(1R)-1-cyclopropylethyl]-6-propan-2-ylphenyl] N-propan-2-ylcarbamate
PubChem CID118909693
Molecular FormulaC18H27NO2
Molecular Weight289.42 g/mol
Exact Mass289.20
IUPAC Name[2-[(1R)-1-cyclopropylethyl]-6-propan-2-ylphenyl] N-propan-2-ylcarbamate
SMILESCC(C)NC(=O)Oc1c(C(C)C)cccc1[C@H](C)C1CC1
InChIInChI=1S/C18H27NO2/c1-11(2)15-7-6-8-16(13(5)14-9-10-14)17(15)21-18(20)19-12(3)4/h6-8,11-14H,9-10H2,1-5H3,(H,19,20)/t13-/m1/s1
InChIKeyXQWSHTIJGXBGLL-CYBMUJFWSA-N
XLogP4.82
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(1-cyclopropylethyl)-6-propan-2-ylphenyl] hydrogen carbonate
CID 118899055
[2-(1-cyclopropylethyl)-6-propan-2-ylphenyl] N-(2-phenylethyl)carbamate
CID 174786679
[2,6-di(propan-2-yl)phenyl] N-hydroxycarbamate
CID 117064047
methyl 2-(1-cyclopropylethyl)-6-propan-2-ylbenzoate
CID 175048002
[2-(1-cyclopropylethyl)-6-propan-2-ylphenoxy]methyl 3-aminopropanoate
CID 174823269
1-[(1R)-1-cyclobutylethyl]-2-ethoxy-3-propan-2-ylbenzene
CID 118951939
(2S)-3-[2-[(1R)-1-cyclopropylethyl]-6-propan-2-ylphenoxy]-2,3-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
CID 160879806
2-[2-[(1R)-1-cyclopropylethyl]-6-propan-2-ylphenoxy]-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 172758080
[2-[(1R)-1-cyclopropylethyl]-6-propan-2-ylphenoxy]methyl 2-acetyloxybenzoate
CID 118899037
[2-[2-[(1R)-1-[2-[2-[2-[2-[(2R)-2-aminopropanoyl]oxyacetyl]oxy-3-[(1R)-1-cyclopropylethyl]phenyl]propyl]cyclopropyl]ethyl]-6-propan-2-ylphenoxy]-2-oxoethyl] (2S)-2-aminopropanoate
CID 167229379
(2-butan-2-yl-6-propan-2-ylphenyl) N-[(1R)-1-phenylethyl]carbamate
CID 59509797
[2-[(1S)-1-cyclopropylethyl]-6-methoxyphenyl] hypoiodite
CID 139310380

Frequently Asked Questions

What is the IUPAC name of [2-[(1R)-1-cyclopropylethyl]-6-propan-2-ylphenyl] N-propan-2-ylcarbamate?
The IUPAC name of [2-[(1R)-1-cyclopropylethyl]-6-propan-2-ylphenyl] N-propan-2-ylcarbamate (CID 118909693) is [2-[(1R)-1-cyclopropylethyl]-6-propan-2-ylphenyl] N-propan-2-ylcarbamate.
What is the SMILES notation for [2-[(1R)-1-cyclopropylethyl]-6-propan-2-ylphenyl] N-propan-2-ylcarbamate?
The canonical SMILES for [2-[(1R)-1-cyclopropylethyl]-6-propan-2-ylphenyl] N-propan-2-ylcarbamate is CC(C)NC(=O)Oc1c(C(C)C)cccc1[C@H](C)C1CC1.
What is the InChIKey of [2-[(1R)-1-cyclopropylethyl]-6-propan-2-ylphenyl] N-propan-2-ylcarbamate?
The InChIKey is XQWSHTIJGXBGLL-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H27NO2/c1-11(2)15-7-6-8-16(13(5)14-9-10-14)17(15)21-18(20)19-12(3)4/h6-8,11-14H,9-10H2,1-5H3,(H,19,20)/t13-/m1/s1.
What are the key properties of [2-[(1R)-1-cyclopropylethyl]-6-propan-2-ylphenyl] N-propan-2-ylcarbamate?
[2-[(1R)-1-cyclopropylethyl]-6-propan-2-ylphenyl] N-propan-2-ylcarbamate has a molecular weight of 289.42 g/mol, XLogP of 4.82, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(1R)-1-cyclopropylethyl]-6-propan-2-ylphenyl] N-propan-2-ylcarbamate is sourced from PubChem (CID 118909693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).