2-hexoxybenzamide

C13H19NO2 — CID 3316

IUPAC2-hexoxybenzamide
SMILESCCCCCCOc1ccccc1C(N)=O
InChIInChI=1S/C13H19NO2/c1-2-3-4-7-10-16-12-9-6-5-8-11(12)13(14)15/h5-6,8-9H,2-4,7,10H2,1H3,(H2,14,15)
InChIKeyCKSJXOVLXUMMFF-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.74
Rot. Bonds7

About 2-hexoxybenzamide

2-hexoxybenzamide (PubChem CID 3316) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 2-hexoxybenzamide.

Molecular Properties

Compound Name2-hexoxybenzamide
PubChem CID3316
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name2-hexoxybenzamide
SMILESCCCCCCOc1ccccc1C(N)=O
InChIInChI=1S/C13H19NO2/c1-2-3-4-7-10-16-12-9-6-5-8-11(12)13(14)15/h5-6,8-9H,2-4,7,10H2,1H3,(H2,14,15)
InChIKeyCKSJXOVLXUMMFF-UHFFFAOYSA-N
XLogP2.74
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-Ethoxybenzamide
CID 3282
4-Methoxybenzamide
CID 76959
3-Methoxybenzamide
CID 98487
2-Methoxybenzamide
CID 75540
o-Anisohydrazide
CID 24051
Benzaldehyde, 2-ethoxy-
CID 11950
Salicylamide O-acetic acid
CID 93086
p-Ethoxybenzamide
CID 108776
2-(Benzyloxy)benzohydrazide
CID 935766
1,3,4-benzoxadiazepin-5(4H)-one
CID 332442
N-[3-(dimethylamino)propyl]-2-phenoxybenzamide
CID 1928169
2-(3-Buten-1-yloxy)benzamide
CID 2728050

Frequently Asked Questions

What is the IUPAC name of 2-hexoxybenzamide?
The IUPAC name of 2-hexoxybenzamide (CID 3316) is 2-hexoxybenzamide.
What is the SMILES notation for 2-hexoxybenzamide?
The canonical SMILES for 2-hexoxybenzamide is CCCCCCOc1ccccc1C(N)=O.
What is the InChIKey of 2-hexoxybenzamide?
The InChIKey is CKSJXOVLXUMMFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-2-3-4-7-10-16-12-9-6-5-8-11(12)13(14)15/h5-6,8-9H,2-4,7,10H2,1H3,(H2,14,15).
What are the key properties of 2-hexoxybenzamide?
2-hexoxybenzamide has a molecular weight of 221.30 g/mol, XLogP of 2.74, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hexoxybenzamide is sourced from PubChem (CID 3316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).