6-(4-cycloheptylphenyl)-N,6-dihydroxyhexanamide

C19H29NO3 — CID 23503080

IUPAC6-(4-cycloheptylphenyl)-N,6-dihydroxyhexanamide
SMILESO=C(CCCCC(O)c1ccc(C2CCCCCC2)cc1)NO
InChIInChI=1S/C19H29NO3/c21-18(9-5-6-10-19(22)20-23)17-13-11-16(12-14-17)15-7-3-1-2-4-8-15/h11-15,18,21,23H,1-10H2,(H,20,22)
InChIKeyIQBSPKBWBKGHET-UHFFFAOYSA-N
MW319.45 g/mol
LogP4.22
Rot. Bonds7

About 6-(4-cycloheptylphenyl)-N,6-dihydroxyhexanamide

6-(4-cycloheptylphenyl)-N,6-dihydroxyhexanamide (PubChem CID 23503080) has the molecular formula C19H29NO3 and a molecular weight of 319.45 g/mol. Its IUPAC name is 6-(4-cycloheptylphenyl)-N,6-dihydroxyhexanamide.

Molecular Properties

Compound Name6-(4-cycloheptylphenyl)-N,6-dihydroxyhexanamide
PubChem CID23503080
Molecular FormulaC19H29NO3
Molecular Weight319.45 g/mol
Exact Mass319.21
IUPAC Name6-(4-cycloheptylphenyl)-N,6-dihydroxyhexanamide
SMILESO=C(CCCCC(O)c1ccc(C2CCCCCC2)cc1)NO
InChIInChI=1S/C19H29NO3/c21-18(9-5-6-10-19(22)20-23)17-13-11-16(12-14-17)15-7-3-1-2-4-8-15/h11-15,18,21,23H,1-10H2,(H,20,22)
InChIKeyIQBSPKBWBKGHET-UHFFFAOYSA-N
XLogP4.22
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 54.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(4-cyclohexylphenyl)octan-1-ol
CID 63426970
1-(4-cyclopentylphenyl)hexan-1-ol
CID 91233072
2-bromo-1-(4-cyclohexylphenyl)ethanol
CID 116863188
2-amino-1-(4-cyclohexylphenyl)ethanol
CID 82114264
N,6-dihydroxy-6-[4-[2-(4-methylphenyl)ethynyl]phenyl]hexanamide
CID 23503045
1-(4-cyclopropylphenyl)octan-1-ol
CID 79980004
N,8-dihydroxy-8-naphthalen-2-yloctanamide
CID 11044829
N,6-dihydroxy-6-[4-[2-(4-methylsulfanylphenyl)ethynyl]phenyl]hexanamide
CID 23503072
2-aminooxy-1-(4-cyclohexylphenyl)ethanol
CID 82116649
3-(4-chlorophenyl)sulfanyl-1-(4-cyclohexylphenyl)propan-1-ol
CID 142229088
2-amino-2-(4-cyclohexylphenyl)acetamide
CID 116850743
(2S)-2-amino-2-(4-cyclohexylphenyl)acetic acid
CID 66512949

Frequently Asked Questions

What is the IUPAC name of 6-(4-cycloheptylphenyl)-N,6-dihydroxyhexanamide?
The IUPAC name of 6-(4-cycloheptylphenyl)-N,6-dihydroxyhexanamide (CID 23503080) is 6-(4-cycloheptylphenyl)-N,6-dihydroxyhexanamide.
What is the SMILES notation for 6-(4-cycloheptylphenyl)-N,6-dihydroxyhexanamide?
The canonical SMILES for 6-(4-cycloheptylphenyl)-N,6-dihydroxyhexanamide is O=C(CCCCC(O)c1ccc(C2CCCCCC2)cc1)NO.
What is the InChIKey of 6-(4-cycloheptylphenyl)-N,6-dihydroxyhexanamide?
The InChIKey is IQBSPKBWBKGHET-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO3/c21-18(9-5-6-10-19(22)20-23)17-13-11-16(12-14-17)15-7-3-1-2-4-8-15/h11-15,18,21,23H,1-10H2,(H,20,22).
What are the key properties of 6-(4-cycloheptylphenyl)-N,6-dihydroxyhexanamide?
6-(4-cycloheptylphenyl)-N,6-dihydroxyhexanamide has a molecular weight of 319.45 g/mol, XLogP of 4.22, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-cycloheptylphenyl)-N,6-dihydroxyhexanamide is sourced from PubChem (CID 23503080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).