2-deuterio-4-(4-pentylcyclohexyl)benzamide

C18H27NO — CID 175768755

IUPAC2-deuterio-4-(4-pentylcyclohexyl)benzamide
SMILES[2H]c1cc(C2CCC(CCCCC)CC2)ccc1C(N)=O
InChIInChI=1S/C18H27NO/c1-2-3-4-5-14-6-8-15(9-7-14)16-10-12-17(13-11-16)18(19)20/h10-15H,2-9H2,1H3,(H2,19,20)/i12D
InChIKeyOYGOBEBTFIWHEP-UQBWLURTSA-N
MW274.43 g/mol
LogP4.64
Rot. Bonds6

About 2-deuterio-4-(4-pentylcyclohexyl)benzamide

2-deuterio-4-(4-pentylcyclohexyl)benzamide (PubChem CID 175768755) has the molecular formula C18H27NO and a molecular weight of 274.43 g/mol. Its IUPAC name is 2-deuterio-4-(4-pentylcyclohexyl)benzamide.

Molecular Properties

Compound Name2-deuterio-4-(4-pentylcyclohexyl)benzamide
PubChem CID175768755
Molecular FormulaC18H27NO
Molecular Weight274.43 g/mol
Exact Mass274.22
IUPAC Name2-deuterio-4-(4-pentylcyclohexyl)benzamide
SMILES[2H]c1cc(C2CCC(CCCCC)CC2)ccc1C(N)=O
InChIInChI=1S/C18H27NO/c1-2-3-4-5-14-6-8-15(9-7-14)16-10-12-17(13-11-16)18(19)20/h10-15H,2-9H2,1H3,(H2,19,20)/i12D
InChIKeyOYGOBEBTFIWHEP-UQBWLURTSA-N
XLogP4.64
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.43
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(4-heptylcyclohexyl)benzoic acid
CID 12700035
2-bromo-1-[4-(4-pentylcyclohexyl)phenyl]ethanone
CID 74655430
1-[4-(4-pentylcyclohexyl)phenyl]butane-1,3-dione
CID 20503164
1-(4-butylcyclohexyl)-4-(4-octylcyclohexyl)benzene
CID 20538404
1-(4-methylcyclohexyl)-4-(4-pentylcyclohexyl)benzene
CID 20538217
4-[4-[2-(4-pentylcyclohexyl)ethyl]cyclohexyl]phenol
CID 142281267
1-(4-heptylcyclohexyl)-4-[4-(4-heptylcyclohexyl)phenyl]benzene
CID 20538283
1-(4-octylcyclohexyl)-4-[4-(4-pentylcyclohexyl)phenyl]benzene
CID 20538109
1-(4-ethylcyclohexyl)-4-(4-octylcyclohexyl)benzene
CID 20538252
1-(4-hexylcyclohexyl)-4-[4-(4-hexylcyclohexyl)phenyl]benzene
CID 20538420
(4-methylcyclohexyl) 4-(4-octylcyclohexyl)benzoate
CID 23334882
1-[4-[4-(4-nonylcyclohexyl)phenyl]phenyl]pentane-1,3-dione
CID 20503090

Frequently Asked Questions

What is the IUPAC name of 2-deuterio-4-(4-pentylcyclohexyl)benzamide?
The IUPAC name of 2-deuterio-4-(4-pentylcyclohexyl)benzamide (CID 175768755) is 2-deuterio-4-(4-pentylcyclohexyl)benzamide.
What is the SMILES notation for 2-deuterio-4-(4-pentylcyclohexyl)benzamide?
The canonical SMILES for 2-deuterio-4-(4-pentylcyclohexyl)benzamide is [2H]c1cc(C2CCC(CCCCC)CC2)ccc1C(N)=O.
What is the InChIKey of 2-deuterio-4-(4-pentylcyclohexyl)benzamide?
The InChIKey is OYGOBEBTFIWHEP-UQBWLURTSA-N. The full InChI is InChI=1S/C18H27NO/c1-2-3-4-5-14-6-8-15(9-7-14)16-10-12-17(13-11-16)18(19)20/h10-15H,2-9H2,1H3,(H2,19,20)/i12D.
What are the key properties of 2-deuterio-4-(4-pentylcyclohexyl)benzamide?
2-deuterio-4-(4-pentylcyclohexyl)benzamide has a molecular weight of 274.43 g/mol, XLogP of 4.64, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-deuterio-4-(4-pentylcyclohexyl)benzamide is sourced from PubChem (CID 175768755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).