[7-oxo-7-(phenylmethoxyamino)heptyl]azanium

C14H23N2O2+ — CID 59535539

IUPAC[7-oxo-7-(phenylmethoxyamino)heptyl]azanium
SMILES[NH3+]CCCCCCC(=O)NOCc1ccccc1
InChIInChI=1S/C14H22N2O2/c15-11-7-2-1-6-10-14(17)16-18-12-13-8-4-3-5-9-13/h3-5,8-9H,1-2,6-7,10-12,15H2,(H,16,17)/p+1
InChIKeyUVPSVEWFOABFGF-UHFFFAOYSA-O
MW251.35 g/mol
LogP1.43
Rot. Bonds9

About [7-oxo-7-(phenylmethoxyamino)heptyl]azanium

[7-oxo-7-(phenylmethoxyamino)heptyl]azanium (PubChem CID 59535539) has the molecular formula C14H23N2O2+ and a molecular weight of 251.35 g/mol. Its IUPAC name is [7-oxo-7-(phenylmethoxyamino)heptyl]azanium.

Molecular Properties

Compound Name[7-oxo-7-(phenylmethoxyamino)heptyl]azanium
PubChem CID59535539
Molecular FormulaC14H23N2O2+
Molecular Weight251.35 g/mol
Exact Mass251.18
IUPAC Name[7-oxo-7-(phenylmethoxyamino)heptyl]azanium
SMILES[NH3+]CCCCCCC(=O)NOCc1ccccc1
InChIInChI=1S/C14H22N2O2/c15-11-7-2-1-6-10-14(17)16-18-12-13-8-4-3-5-9-13/h3-5,8-9H,1-2,6-7,10-12,15H2,(H,16,17)/p+1
InChIKeyUVPSVEWFOABFGF-UHFFFAOYSA-O
XLogP1.43
TPSA65.97 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

[6-oxo-6-(phenylmethoxyamino)hexyl]azanium
CID 59535547
7-oxo-7-(phenylmethoxyamino)heptanoic acid
CID 57439168
7-amino-N-phenylmethoxyheptanamide
CID 59535540
N-phenylmethoxyhexanamide
CID 60717350
8-amino-N-phenylmethoxyoctanamide;ethane;ethene
CID 143768165
chloro-[5-oxo-5-(phenylmethoxyamino)pentyl]azanide
CID 59535535
8-amino-N-phenylmethoxydecanamide;hydrochloride
CID 174601541
chloro-[4-oxo-4-(phenylmethoxyamino)butyl]azanide
CID 59535491
N-(4-formylphenyl)-N'-phenylmethoxyoctanediamide
CID 23900156
tert-butyl N-[7-oxo-7-(phenylmethoxyamino)heptyl]carbamate
CID 59535553
(2S)-2-amino-N-phenyl-N'-phenylmethoxyoctanediamide
CID 72946637
4-amino-N-phenylmethoxypentanamide
CID 64974762

Frequently Asked Questions

What is the IUPAC name of [7-oxo-7-(phenylmethoxyamino)heptyl]azanium?
The IUPAC name of [7-oxo-7-(phenylmethoxyamino)heptyl]azanium (CID 59535539) is [7-oxo-7-(phenylmethoxyamino)heptyl]azanium.
What is the SMILES notation for [7-oxo-7-(phenylmethoxyamino)heptyl]azanium?
The canonical SMILES for [7-oxo-7-(phenylmethoxyamino)heptyl]azanium is [NH3+]CCCCCCC(=O)NOCc1ccccc1.
What is the InChIKey of [7-oxo-7-(phenylmethoxyamino)heptyl]azanium?
The InChIKey is UVPSVEWFOABFGF-UHFFFAOYSA-O. The full InChI is InChI=1S/C14H22N2O2/c15-11-7-2-1-6-10-14(17)16-18-12-13-8-4-3-5-9-13/h3-5,8-9H,1-2,6-7,10-12,15H2,(H,16,17)/p+1.
What are the key properties of [7-oxo-7-(phenylmethoxyamino)heptyl]azanium?
[7-oxo-7-(phenylmethoxyamino)heptyl]azanium has a molecular weight of 251.35 g/mol, XLogP of 1.43, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [7-oxo-7-(phenylmethoxyamino)heptyl]azanium is sourced from PubChem (CID 59535539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).