N-[(3-cyclohexyloxyphenyl)methyl]cyclopentanecarboxamide

C19H27NO2 — CID 86941906

IUPACN-[(3-cyclohexyloxyphenyl)methyl]cyclopentanecarboxamide
SMILESO=C(NCc1cccc(OC2CCCCC2)c1)C1CCCC1
InChIInChI=1S/C19H27NO2/c21-19(16-8-4-5-9-16)20-14-15-7-6-12-18(13-15)22-17-10-2-1-3-11-17/h6-7,12-13,16-17H,1-5,8-11,14H2,(H,20,21)
InChIKeyJOARJUCEZIYXKQ-UHFFFAOYSA-N
MW301.43 g/mol
LogP4.20
Rot. Bonds5

About N-[(3-cyclohexyloxyphenyl)methyl]cyclopentanecarboxamide

N-[(3-cyclohexyloxyphenyl)methyl]cyclopentanecarboxamide (PubChem CID 86941906) has the molecular formula C19H27NO2 and a molecular weight of 301.43 g/mol. Its IUPAC name is N-[(3-cyclohexyloxyphenyl)methyl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[(3-cyclohexyloxyphenyl)methyl]cyclopentanecarboxamide
PubChem CID86941906
Molecular FormulaC19H27NO2
Molecular Weight301.43 g/mol
Exact Mass301.20
IUPAC NameN-[(3-cyclohexyloxyphenyl)methyl]cyclopentanecarboxamide
SMILESO=C(NCc1cccc(OC2CCCCC2)c1)C1CCCC1
InChIInChI=1S/C19H27NO2/c21-19(16-8-4-5-9-16)20-14-15-7-6-12-18(13-15)22-17-10-2-1-3-11-17/h6-7,12-13,16-17H,1-5,8-11,14H2,(H,20,21)
InChIKeyJOARJUCEZIYXKQ-UHFFFAOYSA-N
XLogP4.20
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.43
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(cyclohexanecarbonylamino)-N-[(3-cyclohexyloxyphenyl)methyl]piperidine-1-carboxamide
CID 86943396
1-[(3-cyclohexyloxyphenyl)methyl]-3-(2-hydroxycyclohexyl)urea
CID 86943887
N-[[3-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]methyl]cycloheptanecarboxamide
CID 86777165
N-[(4-cyclohexyloxyphenyl)methyl]piperidine-4-carboxamide
CID 119312792
N-[(3-cycloheptyloxyphenyl)methyl]cyclopropanamine
CID 82927729
1-[(4-cyanophenyl)methyl]-3-[(3-cyclohexyloxyphenyl)methyl]urea
CID 86943146
3-[(cyclohexanecarbonylamino)methyl]benzoic acid
CID 60895668
N-[(3-cyclohexyloxyphenyl)methyl]-2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)acetamide
CID 86941957
N-[(3-cyclohexyloxyphenyl)methyl]-2-thiophen-2-ylacetamide
CID 86941859
N-[(3-methylphenyl)methyl]cyclopentanecarboxamide
CID 39985159
N-[(3-cyclohexyloxyphenyl)methyl]-4-ethylpiperazine-1-carboxamide
CID 86943869
(2S)-1-acetyl-N-[(3-cyclohexyloxyphenyl)methyl]-2,3-dihydroindole-2-carboxamide
CID 86941910

Frequently Asked Questions

What is the IUPAC name of N-[(3-cyclohexyloxyphenyl)methyl]cyclopentanecarboxamide?
The IUPAC name of N-[(3-cyclohexyloxyphenyl)methyl]cyclopentanecarboxamide (CID 86941906) is N-[(3-cyclohexyloxyphenyl)methyl]cyclopentanecarboxamide.
What is the SMILES notation for N-[(3-cyclohexyloxyphenyl)methyl]cyclopentanecarboxamide?
The canonical SMILES for N-[(3-cyclohexyloxyphenyl)methyl]cyclopentanecarboxamide is O=C(NCc1cccc(OC2CCCCC2)c1)C1CCCC1.
What is the InChIKey of N-[(3-cyclohexyloxyphenyl)methyl]cyclopentanecarboxamide?
The InChIKey is JOARJUCEZIYXKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO2/c21-19(16-8-4-5-9-16)20-14-15-7-6-12-18(13-15)22-17-10-2-1-3-11-17/h6-7,12-13,16-17H,1-5,8-11,14H2,(H,20,21).
What are the key properties of N-[(3-cyclohexyloxyphenyl)methyl]cyclopentanecarboxamide?
N-[(3-cyclohexyloxyphenyl)methyl]cyclopentanecarboxamide has a molecular weight of 301.43 g/mol, XLogP of 4.20, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-cyclohexyloxyphenyl)methyl]cyclopentanecarboxamide is sourced from PubChem (CID 86941906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).