N'-hydroxy-5-[[2-hydroxyethyl(methyl)amino]methyl]-2-methoxybenzenecarboximidamide

C12H19N3O3 — CID 65338672

IUPACN'-hydroxy-5-[[2-hydroxyethyl(methyl)amino]methyl]-2-methoxybenzenecarboximidamide
SMILESCOc1ccc(CN(C)CCO)cc1/C(N)=N/O
InChIInChI=1S/C12H19N3O3/c1-15(5-6-16)8-9-3-4-11(18-2)10(7-9)12(13)14-17/h3-4,7,16-17H,5-6,8H2,1-2H3,(H2,13,14)
InChIKeyCCGGAWAKJXHZKN-UHFFFAOYSA-N
MW253.30 g/mol
LogP0.21
Rot. Bonds6

About N'-hydroxy-5-[[2-hydroxyethyl(methyl)amino]methyl]-2-methoxybenzenecarboximidamide

N'-hydroxy-5-[[2-hydroxyethyl(methyl)amino]methyl]-2-methoxybenzenecarboximidamide (PubChem CID 65338672) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is N'-hydroxy-5-[[2-hydroxyethyl(methyl)amino]methyl]-2-methoxybenzenecarboximidamide.

Molecular Properties

Compound NameN'-hydroxy-5-[[2-hydroxyethyl(methyl)amino]methyl]-2-methoxybenzenecarboximidamide
PubChem CID65338672
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC NameN'-hydroxy-5-[[2-hydroxyethyl(methyl)amino]methyl]-2-methoxybenzenecarboximidamide
SMILESCOc1ccc(CN(C)CCO)cc1/C(N)=N/O
InChIInChI=1S/C12H19N3O3/c1-15(5-6-16)8-9-3-4-11(18-2)10(7-9)12(13)14-17/h3-4,7,16-17H,5-6,8H2,1-2H3,(H2,13,14)
InChIKeyCCGGAWAKJXHZKN-UHFFFAOYSA-N
XLogP0.21
TPSA91.31 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 50.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'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

5-[[bis(2-hydroxyethyl)amino]methyl]-N'-hydroxy-2-methoxybenzenecarboximidamide
CID 77065876
2-[(3,4-dimethoxyphenyl)methyl-methylamino]ethanol;hydrochloride
CID 2963067
2-[(4-methoxy-3-methylphenyl)methyl-methylamino]ethanol
CID 115216225
N'-hydroxy-2-methoxy-5-(methoxymethyl)benzenecarboximidamide
CID 77066179
4-[[2-ethoxyethyl(methyl)amino]methyl]-N'-hydroxy-2-methoxybenzenecarboximidamide
CID 106789872
N'-hydroxy-4-[[2-hydroxypropyl(methyl)amino]methyl]-2-methoxybenzenecarboximidamide
CID 106789378
N'-hydroxy-5-[(3-hydroxypropylamino)methyl]-2-methoxybenzenecarboximidamide
CID 77065859
N'-hydroxy-2-methoxy-4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]benzenecarboximidamide
CID 106789337
5-[[cyclopropylmethyl(propan-2-yl)amino]methyl]-N'-hydroxy-2-methoxybenzenecarboximidamide
CID 77065908
2-[[3-(N'-hydroxycarbamimidoyl)-4-methoxyphenyl]methylamino]-N,N-dimethylpropanamide
CID 77066010
N'-hydroxy-5-[[2-(2-hydroxyethoxy)ethylamino]methyl]-2-methoxybenzenecarboximidamide
CID 77065968
N'-[(3,4-dimethoxyphenyl)methyl]-N'-methylethane-1,2-diamine
CID 43373768

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-5-[[2-hydroxyethyl(methyl)amino]methyl]-2-methoxybenzenecarboximidamide?
The IUPAC name of N'-hydroxy-5-[[2-hydroxyethyl(methyl)amino]methyl]-2-methoxybenzenecarboximidamide (CID 65338672) is N'-hydroxy-5-[[2-hydroxyethyl(methyl)amino]methyl]-2-methoxybenzenecarboximidamide.
What is the SMILES notation for N'-hydroxy-5-[[2-hydroxyethyl(methyl)amino]methyl]-2-methoxybenzenecarboximidamide?
The canonical SMILES for N'-hydroxy-5-[[2-hydroxyethyl(methyl)amino]methyl]-2-methoxybenzenecarboximidamide is COc1ccc(CN(C)CCO)cc1/C(N)=N/O.
What is the InChIKey of N'-hydroxy-5-[[2-hydroxyethyl(methyl)amino]methyl]-2-methoxybenzenecarboximidamide?
The InChIKey is CCGGAWAKJXHZKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3/c1-15(5-6-16)8-9-3-4-11(18-2)10(7-9)12(13)14-17/h3-4,7,16-17H,5-6,8H2,1-2H3,(H2,13,14).
What are the key properties of N'-hydroxy-5-[[2-hydroxyethyl(methyl)amino]methyl]-2-methoxybenzenecarboximidamide?
N'-hydroxy-5-[[2-hydroxyethyl(methyl)amino]methyl]-2-methoxybenzenecarboximidamide has a molecular weight of 253.30 g/mol, XLogP of 0.21, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-5-[[2-hydroxyethyl(methyl)amino]methyl]-2-methoxybenzenecarboximidamide is sourced from PubChem (CID 65338672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).