6-(4-aminooxyphenyl)hept-6-enamide

C13H18N2O2 — CID 122605669

IUPAC6-(4-aminooxyphenyl)hept-6-enamide
SMILESC=C(CCCCC(N)=O)c1ccc(ON)cc1
InChIInChI=1S/C13H18N2O2/c1-10(4-2-3-5-13(14)16)11-6-8-12(17-15)9-7-11/h6-9H,1-5,15H2,(H2,14,16)
InChIKeyDMBOSGOGVMGEBF-UHFFFAOYSA-N
MW234.30 g/mol
LogP2.00
Rot. Bonds7

About 6-(4-aminooxyphenyl)hept-6-enamide

6-(4-aminooxyphenyl)hept-6-enamide (PubChem CID 122605669) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 6-(4-aminooxyphenyl)hept-6-enamide.

Molecular Properties

Compound Name6-(4-aminooxyphenyl)hept-6-enamide
PubChem CID122605669
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name6-(4-aminooxyphenyl)hept-6-enamide
SMILESC=C(CCCCC(N)=O)c1ccc(ON)cc1
InChIInChI=1S/C13H18N2O2/c1-10(4-2-3-5-13(14)16)11-6-8-12(17-15)9-7-11/h6-9H,1-5,15H2,(H2,14,16)
InChIKeyDMBOSGOGVMGEBF-UHFFFAOYSA-N
XLogP2.00
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-[4-(trifluoromethoxy)phenyl]hex-5-enoic acid
CID 135073601
4-(11-amino-11-oxoundecoxy)benzoic acid
CID 141366511
1-methyl-4-[7-(4-methylphenyl)octa-1,7-dien-2-yl]benzene
CID 15247721
ethyl 5-phenylhex-5-enoate
CID 146276439
5-(4-methoxyphenyl)pentanamide
CID 134389506
4-aminooxybenzaldehyde;propanamide
CID 175549934
hexanediamide;naphthalene
CID 175366237
1-methyl-4-(7-methylocta-1,7-dien-2-yl)benzene
CID 143865907
benzene-1,4-dicarboxamide;undecanamide
CID 175165478
pentadecanediamide
CID 87429217
docosanediamide;hexacosanediamide
CID 129179979
hexanediamide;hydrazine
CID 160978463

Frequently Asked Questions

What is the IUPAC name of 6-(4-aminooxyphenyl)hept-6-enamide?
The IUPAC name of 6-(4-aminooxyphenyl)hept-6-enamide (CID 122605669) is 6-(4-aminooxyphenyl)hept-6-enamide.
What is the SMILES notation for 6-(4-aminooxyphenyl)hept-6-enamide?
The canonical SMILES for 6-(4-aminooxyphenyl)hept-6-enamide is C=C(CCCCC(N)=O)c1ccc(ON)cc1.
What is the InChIKey of 6-(4-aminooxyphenyl)hept-6-enamide?
The InChIKey is DMBOSGOGVMGEBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-10(4-2-3-5-13(14)16)11-6-8-12(17-15)9-7-11/h6-9H,1-5,15H2,(H2,14,16).
What are the key properties of 6-(4-aminooxyphenyl)hept-6-enamide?
6-(4-aminooxyphenyl)hept-6-enamide has a molecular weight of 234.30 g/mol, XLogP of 2.00, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-aminooxyphenyl)hept-6-enamide is sourced from PubChem (CID 122605669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).