3-(4-butoxyazulen-6-yl)-N-hydroxybutanamide

C18H23NO3 — CID 57077647

IUPAC3-(4-butoxyazulen-6-yl)-N-hydroxybutanamide
SMILESCCCCOc1cc(C(C)CC(=O)NO)ccc2cccc1-2
InChIInChI=1S/C18H23NO3/c1-3-4-10-22-17-12-15(13(2)11-18(20)19-21)9-8-14-6-5-7-16(14)17/h5-9,12-13,21H,3-4,10-11H2,1-2H3,(H,19,20)
InChIKeyHRVFFXQMWRHWCI-UHFFFAOYSA-N
MW301.39 g/mol
LogP3.97
Rot. Bonds7

About 3-(4-butoxyazulen-6-yl)-N-hydroxybutanamide

3-(4-butoxyazulen-6-yl)-N-hydroxybutanamide (PubChem CID 57077647) has the molecular formula C18H23NO3 and a molecular weight of 301.39 g/mol. Its IUPAC name is 3-(4-butoxyazulen-6-yl)-N-hydroxybutanamide.

Molecular Properties

Compound Name3-(4-butoxyazulen-6-yl)-N-hydroxybutanamide
PubChem CID57077647
Molecular FormulaC18H23NO3
Molecular Weight301.39 g/mol
Exact Mass301.17
IUPAC Name3-(4-butoxyazulen-6-yl)-N-hydroxybutanamide
SMILESCCCCOc1cc(C(C)CC(=O)NO)ccc2cccc1-2
InChIInChI=1S/C18H23NO3/c1-3-4-10-22-17-12-15(13(2)11-18(20)19-21)9-8-14-6-5-7-16(14)17/h5-9,12-13,21H,3-4,10-11H2,1-2H3,(H,19,20)
InChIKeyHRVFFXQMWRHWCI-UHFFFAOYSA-N
XLogP3.97
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 53.97
H-Bond Donors ≤ 52
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

2-(4-propoxyazulen-6-yl)acetic acid
CID 67554086
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3-(1,3-dioxoisoindol-2-yl)-3-(3-ethoxy-4-methoxyphenyl)-N-hydroxypropanamide
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1-butan-2-yl-4-[2-methoxy-1-[2-(2-phenylphenoxy)ethoxy]ethoxy]benzene
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1-[4-[2-(4-butoxyphenyl)phenyl]phenyl]ethyl acetate
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3-(2-butoxyphenyl)-N-hydroxy-1H-pyrazole-5-carboxamide
CID 71601259
azanium N-hydroxy-3-[4-(1-phenylethoxy)phenyl]butanamide
CID 19868724
(3S)-3-[3-[(4-bromo-3-butoxyphenyl)methoxy]phenyl]butanoic acid
CID 68756458
1-pentoxy-2-(4-phenylphenyl)benzene
CID 173284868
[4-butoxy-2,5-bis[4-(2-methylprop-2-enoyloxy)phenyl]phenyl] 2-methylpropanoate
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4-[4-(4-bromobutoxy)-3-phenylphenyl]pentanoic acid
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1-[4-[2-(4-butoxyphenyl)phenyl]phenyl]ethyl pentanoate
CID 139693520

Frequently Asked Questions

What is the IUPAC name of 3-(4-butoxyazulen-6-yl)-N-hydroxybutanamide?
The IUPAC name of 3-(4-butoxyazulen-6-yl)-N-hydroxybutanamide (CID 57077647) is 3-(4-butoxyazulen-6-yl)-N-hydroxybutanamide.
What is the SMILES notation for 3-(4-butoxyazulen-6-yl)-N-hydroxybutanamide?
The canonical SMILES for 3-(4-butoxyazulen-6-yl)-N-hydroxybutanamide is CCCCOc1cc(C(C)CC(=O)NO)ccc2cccc1-2.
What is the InChIKey of 3-(4-butoxyazulen-6-yl)-N-hydroxybutanamide?
The InChIKey is HRVFFXQMWRHWCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO3/c1-3-4-10-22-17-12-15(13(2)11-18(20)19-21)9-8-14-6-5-7-16(14)17/h5-9,12-13,21H,3-4,10-11H2,1-2H3,(H,19,20).
What are the key properties of 3-(4-butoxyazulen-6-yl)-N-hydroxybutanamide?
3-(4-butoxyazulen-6-yl)-N-hydroxybutanamide has a molecular weight of 301.39 g/mol, XLogP of 3.97, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-butoxyazulen-6-yl)-N-hydroxybutanamide is sourced from PubChem (CID 57077647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).