3-[3-(dimethylamino)propoxy]-N'-hydroxy-5-methoxybenzenecarboximidamide

C13H21N3O3 — CID 103567608

IUPAC3-[3-(dimethylamino)propoxy]-N'-hydroxy-5-methoxybenzenecarboximidamide
SMILESCOc1cc(OCCCN(C)C)cc(/C(N)=N/O)c1
InChIInChI=1S/C13H21N3O3/c1-16(2)5-4-6-19-12-8-10(13(14)15-17)7-11(9-12)18-3/h7-9,17H,4-6H2,1-3H3,(H2,14,15)
InChIKeyXJFDNPLEQQIWQZ-UHFFFAOYSA-N
MW267.33 g/mol
LogP1.12
Rot. Bonds7

About 3-[3-(dimethylamino)propoxy]-N'-hydroxy-5-methoxybenzenecarboximidamide

3-[3-(dimethylamino)propoxy]-N'-hydroxy-5-methoxybenzenecarboximidamide (PubChem CID 103567608) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is 3-[3-(dimethylamino)propoxy]-N'-hydroxy-5-methoxybenzenecarboximidamide.

Molecular Properties

Compound Name3-[3-(dimethylamino)propoxy]-N'-hydroxy-5-methoxybenzenecarboximidamide
PubChem CID103567608
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC Name3-[3-(dimethylamino)propoxy]-N'-hydroxy-5-methoxybenzenecarboximidamide
SMILESCOc1cc(OCCCN(C)C)cc(/C(N)=N/O)c1
InChIInChI=1S/C13H21N3O3/c1-16(2)5-4-6-19-12-8-10(13(14)15-17)7-11(9-12)18-3/h7-9,17H,4-6H2,1-3H3,(H2,14,15)
InChIKeyXJFDNPLEQQIWQZ-UHFFFAOYSA-N
XLogP1.12
TPSA80.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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'}

Analyze 3-[3-(dimethylamino)propoxy]-N'-hydroxy-5-methoxybenzenecarboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-hydroxy-3-methoxy-5-(3-methylsulfanylpropoxy)benzenecarboximidamide
CID 103567536
N'-hydroxy-3-methoxy-5-(2-propylsulfonylethoxy)benzenecarboximidamide
CID 106725416
N'-hydroxy-3-methoxy-5-[2-(3-methylbutoxy)ethoxy]benzenecarboximidamide
CID 103567600
N'-hydroxy-3-(3-imidazol-1-ylpropoxy)-5-methoxybenzenecarboximidamide
CID 103567567
4-[2-(dimethylamino)ethoxy]-N'-hydroxy-3-methoxybenzenecarboximidamide
CID 74312872
3-(cyclopentylmethoxy)-N'-hydroxy-5-methoxybenzenecarboximidamide
CID 103567543
3-[(3-bromothiophen-2-yl)methoxy]-N'-hydroxy-5-methoxybenzenecarboximidamide
CID 103567546
4-[6-[3,5-bis[6-[4-[(Z)-N'-hydroxycarbamimidoyl]phenoxy]hexoxy]phenoxy]hexoxy]-N'-hydroxybenzenecarboximidamide;ethane
CID 142380100
N'-hydroxy-3-methoxy-5-(1,3-thiazol-5-ylmethoxy)benzenecarboximidamide
CID 103567506
N'-hydroxy-3-methoxy-5-[(1-methylpyrazol-3-yl)methoxy]benzenecarboximidamide
CID 103567501
3-[(5-chlorothiophen-2-yl)methoxy]-N'-hydroxy-5-methoxybenzenecarboximidamide
CID 103567558
N'-hydroxy-3-methoxy-5-(oxolan-3-ylmethoxy)benzenecarboximidamide
CID 103567613

Frequently Asked Questions

What is the IUPAC name of 3-[3-(dimethylamino)propoxy]-N'-hydroxy-5-methoxybenzenecarboximidamide?
The IUPAC name of 3-[3-(dimethylamino)propoxy]-N'-hydroxy-5-methoxybenzenecarboximidamide (CID 103567608) is 3-[3-(dimethylamino)propoxy]-N'-hydroxy-5-methoxybenzenecarboximidamide.
What is the SMILES notation for 3-[3-(dimethylamino)propoxy]-N'-hydroxy-5-methoxybenzenecarboximidamide?
The canonical SMILES for 3-[3-(dimethylamino)propoxy]-N'-hydroxy-5-methoxybenzenecarboximidamide is COc1cc(OCCCN(C)C)cc(/C(N)=N/O)c1.
What is the InChIKey of 3-[3-(dimethylamino)propoxy]-N'-hydroxy-5-methoxybenzenecarboximidamide?
The InChIKey is XJFDNPLEQQIWQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3/c1-16(2)5-4-6-19-12-8-10(13(14)15-17)7-11(9-12)18-3/h7-9,17H,4-6H2,1-3H3,(H2,14,15).
What are the key properties of 3-[3-(dimethylamino)propoxy]-N'-hydroxy-5-methoxybenzenecarboximidamide?
3-[3-(dimethylamino)propoxy]-N'-hydroxy-5-methoxybenzenecarboximidamide has a molecular weight of 267.33 g/mol, XLogP of 1.12, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(dimethylamino)propoxy]-N'-hydroxy-5-methoxybenzenecarboximidamide is sourced from PubChem (CID 103567608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).