1-(3-propan-2-ylphenoxy)cyclohexane-1-carboxamide

C16H23NO2 — CID 82133114

IUPAC1-(3-propan-2-ylphenoxy)cyclohexane-1-carboxamide
SMILESCC(C)c1cccc(OC2(C(N)=O)CCCCC2)c1
InChIInChI=1S/C16H23NO2/c1-12(2)13-7-6-8-14(11-13)19-16(15(17)18)9-4-3-5-10-16/h6-8,11-12H,3-5,9-10H2,1-2H3,(H2,17,18)
InChIKeyUOOIDPJTZIFKIA-UHFFFAOYSA-N
MW261.37 g/mol
LogP3.38
Rot. Bonds4

About 1-(3-propan-2-ylphenoxy)cyclohexane-1-carboxamide

1-(3-propan-2-ylphenoxy)cyclohexane-1-carboxamide (PubChem CID 82133114) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is 1-(3-propan-2-ylphenoxy)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-(3-propan-2-ylphenoxy)cyclohexane-1-carboxamide
PubChem CID82133114
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Name1-(3-propan-2-ylphenoxy)cyclohexane-1-carboxamide
SMILESCC(C)c1cccc(OC2(C(N)=O)CCCCC2)c1
InChIInChI=1S/C16H23NO2/c1-12(2)13-7-6-8-14(11-13)19-16(15(17)18)9-4-3-5-10-16/h6-8,11-12H,3-5,9-10H2,1-2H3,(H2,17,18)
InChIKeyUOOIDPJTZIFKIA-UHFFFAOYSA-N
XLogP3.38
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromophenoxy)cyclopentane-1-carboxamide
CID 82134789
[1-(3-propan-2-ylphenoxy)cyclohexyl]methanamine
CID 82131016
1-(1,3-benzodioxol-5-yloxy)cyclopentane-1-carboxamide
CID 82131293
(3-propan-2-ylphenyl) N-propan-2-ylcarbamate
CID 127551398
[1-[(3-propan-2-ylphenoxy)methyl]cyclopentyl]methanesulfonamide
CID 65003158
2-[1-[(3-propan-2-ylphenoxy)methyl]cyclopropyl]acetic acid
CID 65498253
1-[3-(dimethylamino)phenoxy]cyclopentane-1-carboxylic acid
CID 82131344
2-(3-propan-2-ylphenoxy)-1-pyrrolidin-1-ylpropan-1-one
CID 78767912
1-[[3-(1-aminoethyl)phenoxy]methyl]cyclohexan-1-ol
CID 65208420
1,3-bis(3-propan-2-ylphenoxy)benzene
CID 90260311
2-phenyl-2-(3-propan-2-ylphenoxy)acetic acid
CID 21063794
2-methyl-N-[2-[1-(3-propan-2-ylphenoxy)cyclobutyl]ethyl]propan-2-amine
CID 103273515

Frequently Asked Questions

What is the IUPAC name of 1-(3-propan-2-ylphenoxy)cyclohexane-1-carboxamide?
The IUPAC name of 1-(3-propan-2-ylphenoxy)cyclohexane-1-carboxamide (CID 82133114) is 1-(3-propan-2-ylphenoxy)cyclohexane-1-carboxamide.
What is the SMILES notation for 1-(3-propan-2-ylphenoxy)cyclohexane-1-carboxamide?
The canonical SMILES for 1-(3-propan-2-ylphenoxy)cyclohexane-1-carboxamide is CC(C)c1cccc(OC2(C(N)=O)CCCCC2)c1.
What is the InChIKey of 1-(3-propan-2-ylphenoxy)cyclohexane-1-carboxamide?
The InChIKey is UOOIDPJTZIFKIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-12(2)13-7-6-8-14(11-13)19-16(15(17)18)9-4-3-5-10-16/h6-8,11-12H,3-5,9-10H2,1-2H3,(H2,17,18).
What are the key properties of 1-(3-propan-2-ylphenoxy)cyclohexane-1-carboxamide?
1-(3-propan-2-ylphenoxy)cyclohexane-1-carboxamide has a molecular weight of 261.37 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-propan-2-ylphenoxy)cyclohexane-1-carboxamide is sourced from PubChem (CID 82133114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).