[4-(9-cyclohexylnonyl)phenyl]-pyrrolidin-1-ylmethanone

C26H41NO — CID 70792444

IUPAC[4-(9-cyclohexylnonyl)phenyl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1ccc(CCCCCCCCCC2CCCCC2)cc1)N1CCCC1
InChIInChI=1S/C26H41NO/c28-26(27-21-11-12-22-27)25-19-17-24(18-20-25)16-8-5-3-1-2-4-7-13-23-14-9-6-10-15-23/h17-20,23H,1-16,21-22H2
InChIKeyAYNMISFZQDZRQD-UHFFFAOYSA-N
MW383.62 g/mol
LogP7.17
Rot. Bonds11

About [4-(9-cyclohexylnonyl)phenyl]-pyrrolidin-1-ylmethanone

[4-(9-cyclohexylnonyl)phenyl]-pyrrolidin-1-ylmethanone (PubChem CID 70792444) has the molecular formula C26H41NO and a molecular weight of 383.62 g/mol. Its IUPAC name is [4-(9-cyclohexylnonyl)phenyl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[4-(9-cyclohexylnonyl)phenyl]-pyrrolidin-1-ylmethanone
PubChem CID70792444
Molecular FormulaC26H41NO
Molecular Weight383.62 g/mol
Exact Mass383.32
IUPAC Name[4-(9-cyclohexylnonyl)phenyl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1ccc(CCCCCCCCCC2CCCCC2)cc1)N1CCCC1
InChIInChI=1S/C26H41NO/c28-26(27-21-11-12-22-27)25-19-17-24(18-20-25)16-8-5-3-1-2-4-7-13-23-14-9-6-10-15-23/h17-20,23H,1-16,21-22H2
InChIKeyAYNMISFZQDZRQD-UHFFFAOYSA-N
XLogP7.17
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.62
LogP ≤ 57.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3,3-dimethylbut-1-ene;[4-[4-(1-methylpiperidin-4-yl)butyl]phenyl]-pyrrolidin-1-ylmethanone
CID 143388200
(4-butylphenyl)-pyrrolidin-1-ylmethanone
CID 60674990
(2S)-1-[4-(9-cyclohexylnonyl)benzoyl]-N'-methylpyrrolidine-2-carboximidamide
CID 70792439
phenyl-[4-(3-phenylpropyl)piperidin-1-yl]methanone
CID 168948503
2-cyclopentyl-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]acetamide
CID 18159694
[4-(azocane-1-carbonyl)phenyl]-(azocan-1-yl)methanone
CID 3317192
1-(10-cyclohexyldecyl)-4-iodobenzene
CID 129287266
[1-[1-(4-hexylbenzoyl)piperidin-4-yl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 42881294
[4-(aminomethyl)phenyl]-piperidin-1-ylmethanone
CID 7131263
N-[[4-(piperidine-1-carbonyl)phenyl]methyl]cyclopentanecarboxamide
CID 18119554
1-[4-[4-(aminomethyl)benzoyl]piperazin-1-yl]-3-cyclopentylpropan-1-one
CID 119285166
5-(5-cyclohexylpentyl)-2-oxopyridine-1-carboxylic acid
CID 90424859

Frequently Asked Questions

What is the IUPAC name of [4-(9-cyclohexylnonyl)phenyl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [4-(9-cyclohexylnonyl)phenyl]-pyrrolidin-1-ylmethanone (CID 70792444) is [4-(9-cyclohexylnonyl)phenyl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [4-(9-cyclohexylnonyl)phenyl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [4-(9-cyclohexylnonyl)phenyl]-pyrrolidin-1-ylmethanone is O=C(c1ccc(CCCCCCCCCC2CCCCC2)cc1)N1CCCC1.
What is the InChIKey of [4-(9-cyclohexylnonyl)phenyl]-pyrrolidin-1-ylmethanone?
The InChIKey is AYNMISFZQDZRQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H41NO/c28-26(27-21-11-12-22-27)25-19-17-24(18-20-25)16-8-5-3-1-2-4-7-13-23-14-9-6-10-15-23/h17-20,23H,1-16,21-22H2.
What are the key properties of [4-(9-cyclohexylnonyl)phenyl]-pyrrolidin-1-ylmethanone?
[4-(9-cyclohexylnonyl)phenyl]-pyrrolidin-1-ylmethanone has a molecular weight of 383.62 g/mol, XLogP of 7.17, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(9-cyclohexylnonyl)phenyl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 70792444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).