4-[4-[[4-(3-fluoro-3-methylbutyl)cycloheptyl]methoxy]phenyl]-N-(4-hydroxybutyl)benzamide

C30H42FNO3 — CID 123524583

IUPAC4-[4-[[4-(3-fluoro-3-methylbutyl)cycloheptyl]methoxy]phenyl]-N-(4-hydroxybutyl)benzamide
SMILESCC(C)(F)CCC1CCCC(COc2ccc(-c3ccc(C(=O)NCCCCO)cc3)cc2)CC1
InChIInChI=1S/C30H42FNO3/c1-30(2,31)19-18-23-6-5-7-24(9-8-23)22-35-28-16-14-26(15-17-28)25-10-12-27(13-11-25)29(34)32-20-3-4-21-33/h10-17,23-24,33H,3-9,18-22H2,1-2H3,(H,32,34)
InChIKeyRHVJDBVQEUHGGQ-UHFFFAOYSA-N
MW483.67 g/mol
LogP6.96
Rot. Bonds12

About 4-[4-[[4-(3-fluoro-3-methylbutyl)cycloheptyl]methoxy]phenyl]-N-(4-hydroxybutyl)benzamide

4-[4-[[4-(3-fluoro-3-methylbutyl)cycloheptyl]methoxy]phenyl]-N-(4-hydroxybutyl)benzamide (PubChem CID 123524583) has the molecular formula C30H42FNO3 and a molecular weight of 483.67 g/mol. Its IUPAC name is 4-[4-[[4-(3-fluoro-3-methylbutyl)cycloheptyl]methoxy]phenyl]-N-(4-hydroxybutyl)benzamide.

Molecular Properties

Compound Name4-[4-[[4-(3-fluoro-3-methylbutyl)cycloheptyl]methoxy]phenyl]-N-(4-hydroxybutyl)benzamide
PubChem CID123524583
Molecular FormulaC30H42FNO3
Molecular Weight483.67 g/mol
Exact Mass483.31
IUPAC Name4-[4-[[4-(3-fluoro-3-methylbutyl)cycloheptyl]methoxy]phenyl]-N-(4-hydroxybutyl)benzamide
SMILESCC(C)(F)CCC1CCCC(COc2ccc(-c3ccc(C(=O)NCCCCO)cc3)cc2)CC1
InChIInChI=1S/C30H42FNO3/c1-30(2,31)19-18-23-6-5-7-24(9-8-23)22-35-28-16-14-26(15-17-28)25-10-12-27(13-11-25)29(34)32-20-3-4-21-33/h10-17,23-24,33H,3-9,18-22H2,1-2H3,(H,32,34)
InChIKeyRHVJDBVQEUHGGQ-UHFFFAOYSA-N
XLogP6.96
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.67
LogP ≤ 56.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[4-[[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]methoxy]phenyl]-N-pentylbenzamide
CID 72700353
N-(3-anilinopropyl)-4-(cyclopropylmethoxy)benzamide
CID 56541657
4-(cyclopropylmethoxy)-N-ethylbenzamide
CID 60572461
4-(cyclohexylmethoxy)-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 119537467
4-(cyclopropylmethoxy)-N-(3-hydroxy-4-methylpentyl)benzamide
CID 111461405
4-(cyclopropylmethoxy)-N-[(2S)-1-hydroxy-2,3-dimethylbutan-2-yl]benzamide
CID 129418432
2-[[4-(cyclopropylmethoxy)benzoyl]amino]acetic acid
CID 66812671
4-(cyclopropylmethoxy)-N-[2-[(R)-phenylsulfinyl]ethyl]benzamide
CID 95618513
4-(cyclohexylmethoxy)-N-(2-piperazin-1-ylethyl)benzamide
CID 119448595
[[4-(cyclopentylmethoxy)benzoyl]amino]methanesulfinic acid
CID 174758918
4-(cyclopropylmethoxy)-N-(2-hydroxy-2-thiophen-2-ylpropyl)benzamide
CID 111442251
N-cyclopropyl-4-[4-[[1-(2,2-dimethylpropyl)piperidin-4-yl]methoxy]phenyl]benzamide
CID 123252184

Frequently Asked Questions

What is the IUPAC name of 4-[4-[[4-(3-fluoro-3-methylbutyl)cycloheptyl]methoxy]phenyl]-N-(4-hydroxybutyl)benzamide?
The IUPAC name of 4-[4-[[4-(3-fluoro-3-methylbutyl)cycloheptyl]methoxy]phenyl]-N-(4-hydroxybutyl)benzamide (CID 123524583) is 4-[4-[[4-(3-fluoro-3-methylbutyl)cycloheptyl]methoxy]phenyl]-N-(4-hydroxybutyl)benzamide.
What is the SMILES notation for 4-[4-[[4-(3-fluoro-3-methylbutyl)cycloheptyl]methoxy]phenyl]-N-(4-hydroxybutyl)benzamide?
The canonical SMILES for 4-[4-[[4-(3-fluoro-3-methylbutyl)cycloheptyl]methoxy]phenyl]-N-(4-hydroxybutyl)benzamide is CC(C)(F)CCC1CCCC(COc2ccc(-c3ccc(C(=O)NCCCCO)cc3)cc2)CC1.
What is the InChIKey of 4-[4-[[4-(3-fluoro-3-methylbutyl)cycloheptyl]methoxy]phenyl]-N-(4-hydroxybutyl)benzamide?
The InChIKey is RHVJDBVQEUHGGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H42FNO3/c1-30(2,31)19-18-23-6-5-7-24(9-8-23)22-35-28-16-14-26(15-17-28)25-10-12-27(13-11-25)29(34)32-20-3-4-21-33/h10-17,23-24,33H,3-9,18-22H2,1-2H3,(H,32,34).
What are the key properties of 4-[4-[[4-(3-fluoro-3-methylbutyl)cycloheptyl]methoxy]phenyl]-N-(4-hydroxybutyl)benzamide?
4-[4-[[4-(3-fluoro-3-methylbutyl)cycloheptyl]methoxy]phenyl]-N-(4-hydroxybutyl)benzamide has a molecular weight of 483.67 g/mol, XLogP of 6.96, 12 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[[4-(3-fluoro-3-methylbutyl)cycloheptyl]methoxy]phenyl]-N-(4-hydroxybutyl)benzamide is sourced from PubChem (CID 123524583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).