9-(4-hexoxyphenyl)-N-hydroxy-N-methylnonanamide

C22H37NO3 — CID 14555680

IUPAC9-(4-hexoxyphenyl)-N-hydroxy-N-methylnonanamide
SMILESCCCCCCOc1ccc(CCCCCCCCC(=O)N(C)O)cc1
InChIInChI=1S/C22H37NO3/c1-3-4-5-12-19-26-21-17-15-20(16-18-21)13-10-8-6-7-9-11-14-22(24)23(2)25/h15-18,25H,3-14,19H2,1-2H3
InChIKeyPTLAMRVQQONXRY-UHFFFAOYSA-N
MW363.54 g/mol
LogP5.77
Rot. Bonds15

About 9-(4-hexoxyphenyl)-N-hydroxy-N-methylnonanamide

9-(4-hexoxyphenyl)-N-hydroxy-N-methylnonanamide (PubChem CID 14555680) has the molecular formula C22H37NO3 and a molecular weight of 363.54 g/mol. Its IUPAC name is 9-(4-hexoxyphenyl)-N-hydroxy-N-methylnonanamide.

Molecular Properties

Compound Name9-(4-hexoxyphenyl)-N-hydroxy-N-methylnonanamide
PubChem CID14555680
Molecular FormulaC22H37NO3
Molecular Weight363.54 g/mol
Exact Mass363.28
IUPAC Name9-(4-hexoxyphenyl)-N-hydroxy-N-methylnonanamide
SMILESCCCCCCOc1ccc(CCCCCCCCC(=O)N(C)O)cc1
InChIInChI=1S/C22H37NO3/c1-3-4-5-12-19-26-21-17-15-20(16-18-21)13-10-8-6-7-9-11-14-22(24)23(2)25/h15-18,25H,3-14,19H2,1-2H3
InChIKeyPTLAMRVQQONXRY-UHFFFAOYSA-N
XLogP5.77
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.54
LogP ≤ 55.77
H-Bond Donors ≤ 51
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

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6-(4-butylphenoxy)hexan-2-one
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11-[4-[(4-pentylphenyl)diazenyl]phenoxy]undecanoic acid
CID 101447317
6-[4-[(4-octylphenyl)diazenyl]phenoxy]hexanoic acid
CID 56996290
sodium 6-[4-[(4-octylphenyl)diazenyl]phenoxy]hexanoate
CID 102039493
4-(4-pentoxyphenyl)butan-2-one
CID 19885189
3-(4-heptoxyphenyl)-N,N-dimethylpropan-1-amine
CID 170865649
(4-heptylphenyl) 4-decoxybenzoate
CID 19992749
(4-nonoxyphenyl) 4-pentylbenzoate
CID 71335502
1-hexyl-4-(6-phenylhexoxy)benzene
CID 91256527

Frequently Asked Questions

What is the IUPAC name of 9-(4-hexoxyphenyl)-N-hydroxy-N-methylnonanamide?
The IUPAC name of 9-(4-hexoxyphenyl)-N-hydroxy-N-methylnonanamide (CID 14555680) is 9-(4-hexoxyphenyl)-N-hydroxy-N-methylnonanamide.
What is the SMILES notation for 9-(4-hexoxyphenyl)-N-hydroxy-N-methylnonanamide?
The canonical SMILES for 9-(4-hexoxyphenyl)-N-hydroxy-N-methylnonanamide is CCCCCCOc1ccc(CCCCCCCCC(=O)N(C)O)cc1.
What is the InChIKey of 9-(4-hexoxyphenyl)-N-hydroxy-N-methylnonanamide?
The InChIKey is PTLAMRVQQONXRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H37NO3/c1-3-4-5-12-19-26-21-17-15-20(16-18-21)13-10-8-6-7-9-11-14-22(24)23(2)25/h15-18,25H,3-14,19H2,1-2H3.
What are the key properties of 9-(4-hexoxyphenyl)-N-hydroxy-N-methylnonanamide?
9-(4-hexoxyphenyl)-N-hydroxy-N-methylnonanamide has a molecular weight of 363.54 g/mol, XLogP of 5.77, 15 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-hexoxyphenyl)-N-hydroxy-N-methylnonanamide is sourced from PubChem (CID 14555680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).