7-(3-ethylphenoxy)-N-hydroxyheptanamide

C15H23NO3 — CID 39364757

IUPAC7-(3-ethylphenoxy)-N-hydroxyheptanamide
SMILESCCc1cccc(OCCCCCCC(=O)NO)c1
InChIInChI=1S/C15H23NO3/c1-2-13-8-7-9-14(12-13)19-11-6-4-3-5-10-15(17)16-18/h7-9,12,18H,2-6,10-11H2,1H3,(H,16,17)
InChIKeyVTLJZCJHKVBOLG-UHFFFAOYSA-N
MW265.35 g/mol
LogP3.08
Rot. Bonds9

About 7-(3-ethylphenoxy)-N-hydroxyheptanamide

7-(3-ethylphenoxy)-N-hydroxyheptanamide (PubChem CID 39364757) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 7-(3-ethylphenoxy)-N-hydroxyheptanamide.

Molecular Properties

Compound Name7-(3-ethylphenoxy)-N-hydroxyheptanamide
PubChem CID39364757
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name7-(3-ethylphenoxy)-N-hydroxyheptanamide
SMILESCCc1cccc(OCCCCCCC(=O)NO)c1
InChIInChI=1S/C15H23NO3/c1-2-13-8-7-9-14(12-13)19-11-6-4-3-5-10-15(17)16-18/h7-9,12,18H,2-6,10-11H2,1H3,(H,16,17)
InChIKeyVTLJZCJHKVBOLG-UHFFFAOYSA-N
XLogP3.08
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 53.08
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

3-(3-ethylphenoxy)-N-methylpropanamide
CID 64763281
4-(3-ethylphenoxy)butanamide
CID 82040637
3-(3-ethylphenoxy)propanehydrazide
CID 63575003
N-methyl-5-(3-propylphenoxy)pentanamide
CID 173258739
N-hydroxy-8-(3-methoxyphenyl)octanamide
CID 155529506
2-(3-ethylphenoxy)-N-(3-heptoxyphenyl)acetamide
CID 43912190
5-(3-ethylphenoxy)-N'-hydroxypentanimidamide
CID 54965601
5-(3-ethylphenoxy)-N-propylpentan-1-amine
CID 62449956
1-(4-bromobutoxy)-3-ethylbenzene
CID 43165198
methyl 7-[3-(bromomethyl)phenoxy]heptanoate
CID 169093591
N,N'-bis(3-hexoxyphenyl)nonanediamide
CID 17094975
1-O-decyl 10-O-(3-ethylphenyl) decanedioate
CID 91711606

Frequently Asked Questions

What is the IUPAC name of 7-(3-ethylphenoxy)-N-hydroxyheptanamide?
The IUPAC name of 7-(3-ethylphenoxy)-N-hydroxyheptanamide (CID 39364757) is 7-(3-ethylphenoxy)-N-hydroxyheptanamide.
What is the SMILES notation for 7-(3-ethylphenoxy)-N-hydroxyheptanamide?
The canonical SMILES for 7-(3-ethylphenoxy)-N-hydroxyheptanamide is CCc1cccc(OCCCCCCC(=O)NO)c1.
What is the InChIKey of 7-(3-ethylphenoxy)-N-hydroxyheptanamide?
The InChIKey is VTLJZCJHKVBOLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-2-13-8-7-9-14(12-13)19-11-6-4-3-5-10-15(17)16-18/h7-9,12,18H,2-6,10-11H2,1H3,(H,16,17).
What are the key properties of 7-(3-ethylphenoxy)-N-hydroxyheptanamide?
7-(3-ethylphenoxy)-N-hydroxyheptanamide has a molecular weight of 265.35 g/mol, XLogP of 3.08, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-ethylphenoxy)-N-hydroxyheptanamide is sourced from PubChem (CID 39364757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).