3-decoxy-N'-hydroxybenzenecarboximidamide

C17H28N2O2 — CID 76997791

IUPAC3-decoxy-N'-hydroxybenzenecarboximidamide
SMILESCCCCCCCCCCOc1cccc(C(N)=NO)c1
InChIInChI=1S/C17H28N2O2/c1-2-3-4-5-6-7-8-9-13-21-16-12-10-11-15(14-16)17(18)19-20/h10-12,14,20H,2-9,13H2,1H3,(H2,18,19)
InChIKeyQQVUZXKQSUKGQX-UHFFFAOYSA-N
MW292.42 g/mol
LogP4.30
Rot. Bonds11

About 3-decoxy-N'-hydroxybenzenecarboximidamide

3-decoxy-N'-hydroxybenzenecarboximidamide (PubChem CID 76997791) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is 3-decoxy-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name3-decoxy-N'-hydroxybenzenecarboximidamide
PubChem CID76997791
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name3-decoxy-N'-hydroxybenzenecarboximidamide
SMILESCCCCCCCCCCOc1cccc(C(N)=NO)c1
InChIInChI=1S/C17H28N2O2/c1-2-3-4-5-6-7-8-9-13-21-16-12-10-11-15(14-16)17(18)19-20/h10-12,14,20H,2-9,13H2,1H3,(H2,18,19)
InChIKeyQQVUZXKQSUKGQX-UHFFFAOYSA-N
XLogP4.30
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[1-(3-decoxyphenyl)ethylidene]hydroxylamine
CID 76999592
1,2-bis(3-hexoxyphenyl)ethane-1,2-dione
CID 71777687
3-(3,3-dimethylbutoxy)-N'-hydroxybenzenecarboximidamide
CID 109374361
N-[1-(3-butoxyphenyl)tetradecylidene]hydroxylamine
CID 71832094
3-(ethoxymethoxy)-N'-hydroxybenzenecarboximidamide
CID 77066586
1-(3-henicosoxyphenyl)ethanone
CID 23127401
1,3-dihexadecoxybenzene
CID 12686834
3-heptoxybenzohydrazide
CID 54793165
3-hexoxybenzohydrazide
CID 54793158
formonitrile;4-heptoxy-N'-hydroxybenzenecarboximidamide;1-heptoxy-4-methylbenzene
CID 172920699
4-butoxy-N'-hydroxybenzenecarboximidamide
CID 2255598
N'-hydroxy-3-(2-methylpropoxy)benzenecarboximidamide
CID 24698660

Frequently Asked Questions

What is the IUPAC name of 3-decoxy-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 3-decoxy-N'-hydroxybenzenecarboximidamide (CID 76997791) is 3-decoxy-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 3-decoxy-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 3-decoxy-N'-hydroxybenzenecarboximidamide is CCCCCCCCCCOc1cccc(C(N)=NO)c1.
What is the InChIKey of 3-decoxy-N'-hydroxybenzenecarboximidamide?
The InChIKey is QQVUZXKQSUKGQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-2-3-4-5-6-7-8-9-13-21-16-12-10-11-15(14-16)17(18)19-20/h10-12,14,20H,2-9,13H2,1H3,(H2,18,19).
What are the key properties of 3-decoxy-N'-hydroxybenzenecarboximidamide?
3-decoxy-N'-hydroxybenzenecarboximidamide has a molecular weight of 292.42 g/mol, XLogP of 4.30, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-decoxy-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 76997791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).