3-(2-chlorophenoxy)-N-cyclohexylcyclobutane-1-carboxamide;propan-2-ol

C20H30ClNO3 — CID 142323142

IUPAC3-(2-chlorophenoxy)-N-cyclohexylcyclobutane-1-carboxamide;propan-2-ol
SMILESCC(C)O.O=C(NC1CCCCC1)C1CC(Oc2ccccc2Cl)C1
InChIInChI=1S/C17H22ClNO2.C3H8O/c18-15-8-4-5-9-16(15)21-14-10-12(11-14)17(20)19-13-6-2-1-3-7-13;1-3(2)4/h4-5,8-9,12-14H,1-3,6-7,10-11H2,(H,19,20);3-4H,1-2H3
InChIKeyJBHDBYNEIFTRIX-UHFFFAOYSA-N
MW367.92 g/mol
LogP4.33
Rot. Bonds4

About 3-(2-chlorophenoxy)-N-cyclohexylcyclobutane-1-carboxamide;propan-2-ol

3-(2-chlorophenoxy)-N-cyclohexylcyclobutane-1-carboxamide;propan-2-ol (PubChem CID 142323142) has the molecular formula C20H30ClNO3 and a molecular weight of 367.92 g/mol. Its IUPAC name is 3-(2-chlorophenoxy)-N-cyclohexylcyclobutane-1-carboxamide;propan-2-ol.

Molecular Properties

Compound Name3-(2-chlorophenoxy)-N-cyclohexylcyclobutane-1-carboxamide;propan-2-ol
PubChem CID142323142
Molecular FormulaC20H30ClNO3
Molecular Weight367.92 g/mol
Exact Mass367.19
IUPAC Name3-(2-chlorophenoxy)-N-cyclohexylcyclobutane-1-carboxamide;propan-2-ol
SMILESCC(C)O.O=C(NC1CCCCC1)C1CC(Oc2ccccc2Cl)C1
InChIInChI=1S/C17H22ClNO2.C3H8O/c18-15-8-4-5-9-16(15)21-14-10-12(11-14)17(20)19-13-6-2-1-3-7-13;1-3(2)4/h4-5,8-9,12-14H,1-3,6-7,10-11H2,(H,19,20);3-4H,1-2H3
InChIKeyJBHDBYNEIFTRIX-UHFFFAOYSA-N
XLogP4.33
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.92
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclohexyl-3-(2-methoxyphenoxy)cyclobutane-1-carboxamide;propan-2-ol
CID 142323277
methyl 3-(2-chlorophenoxy)cyclobutane-1-carboxylate
CID 134430249
(2S)-2-(2-chlorophenoxy)-N-(cyclohexylcarbamoyl)propanamide
CID 7815946
3-[2-(difluoromethoxy)phenoxy]-N-[4-(2-hydroxypropan-2-yl)cyclohexyl]cyclobutane-1-carboxamide
CID 134430562
4-[2-(2-chlorophenoxy)propanoylamino]-N-cyclohexylbenzamide
CID 43878541
3-(1,3-benzothiazol-4-yloxy)-N-[4-(2-methoxyethoxy)cyclohexyl]cyclobutane-1-carboxamide
CID 134430274
3-[2-(difluoromethoxy)-5-fluorophenoxy]-N-[4-(pyrimidin-2-ylamino)cyclohexyl]cyclobutane-1-carboxamide
CID 139369105
(2S)-2-[[2-(2-chlorophenoxy)acetyl]-[(2,6-dichlorophenyl)methyl]amino]-N-cyclohexylpropanamide
CID 100505210
3-(2-chlorophenoxy)-N-ethylcyclohexan-1-amine
CID 79618026
2-(2-chlorophenoxy)-N-cyclohexylpyridine-3-carboxamide
CID 56661736
3-(2-chlorophenoxy)-N-ethylcyclobutan-1-amine
CID 66357505
1-(2-chlorobenzoyl)-N-cyclohexylpiperidine-4-carboxamide
CID 1072829

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenoxy)-N-cyclohexylcyclobutane-1-carboxamide;propan-2-ol?
The IUPAC name of 3-(2-chlorophenoxy)-N-cyclohexylcyclobutane-1-carboxamide;propan-2-ol (CID 142323142) is 3-(2-chlorophenoxy)-N-cyclohexylcyclobutane-1-carboxamide;propan-2-ol.
What is the SMILES notation for 3-(2-chlorophenoxy)-N-cyclohexylcyclobutane-1-carboxamide;propan-2-ol?
The canonical SMILES for 3-(2-chlorophenoxy)-N-cyclohexylcyclobutane-1-carboxamide;propan-2-ol is CC(C)O.O=C(NC1CCCCC1)C1CC(Oc2ccccc2Cl)C1.
What is the InChIKey of 3-(2-chlorophenoxy)-N-cyclohexylcyclobutane-1-carboxamide;propan-2-ol?
The InChIKey is JBHDBYNEIFTRIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClNO2.C3H8O/c18-15-8-4-5-9-16(15)21-14-10-12(11-14)17(20)19-13-6-2-1-3-7-13;1-3(2)4/h4-5,8-9,12-14H,1-3,6-7,10-11H2,(H,19,20);3-4H,1-2H3.
What are the key properties of 3-(2-chlorophenoxy)-N-cyclohexylcyclobutane-1-carboxamide;propan-2-ol?
3-(2-chlorophenoxy)-N-cyclohexylcyclobutane-1-carboxamide;propan-2-ol has a molecular weight of 367.92 g/mol, XLogP of 4.33, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenoxy)-N-cyclohexylcyclobutane-1-carboxamide;propan-2-ol is sourced from PubChem (CID 142323142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).