N'-hydroxy-2-methoxy-4-[[[(E)-pent-3-enyl]amino]methyl]benzenecarboximidamide

C14H21N3O2 — CID 106789997

IUPACN'-hydroxy-2-methoxy-4-[[[(E)-pent-3-enyl]amino]methyl]benzenecarboximidamide
SMILESC/C=C/CCNCc1ccc(/C(N)=N/O)c(OC)c1
InChIInChI=1S/C14H21N3O2/c1-3-4-5-8-16-10-11-6-7-12(14(15)17-18)13(9-11)19-2/h3-4,6-7,9,16,18H,5,8,10H2,1-2H3,(H2,15,17)/b4-3+
InChIKeyLUDSUAXSSQCZEM-ONEGZZNKSA-N
MW263.34 g/mol
LogP1.85
Rot. Bonds7

About N'-hydroxy-2-methoxy-4-[[[(E)-pent-3-enyl]amino]methyl]benzenecarboximidamide

N'-hydroxy-2-methoxy-4-[[[(E)-pent-3-enyl]amino]methyl]benzenecarboximidamide (PubChem CID 106789997) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is N'-hydroxy-2-methoxy-4-[[[(E)-pent-3-enyl]amino]methyl]benzenecarboximidamide.

Molecular Properties

Compound NameN'-hydroxy-2-methoxy-4-[[[(E)-pent-3-enyl]amino]methyl]benzenecarboximidamide
PubChem CID106789997
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC NameN'-hydroxy-2-methoxy-4-[[[(E)-pent-3-enyl]amino]methyl]benzenecarboximidamide
SMILESC/C=C/CCNCc1ccc(/C(N)=N/O)c(OC)c1
InChIInChI=1S/C14H21N3O2/c1-3-4-5-8-16-10-11-6-7-12(14(15)17-18)13(9-11)19-2/h3-4,6-7,9,16,18H,5,8,10H2,1-2H3,(H2,15,17)/b4-3+
InChIKeyLUDSUAXSSQCZEM-ONEGZZNKSA-N
XLogP1.85
TPSA79.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}

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Related Compounds

2-[[4-[(Z)-N'-hydroxycarbamimidoyl]-3-methoxyphenyl]methylamino]ethyl carbamate
CID 106789955
4-[[3-(dimethylamino)propylamino]methyl]-N'-hydroxy-2-methoxybenzenecarboximidamide
CID 106789509
N'-hydroxy-4-[(2-hydroxypropylamino)methyl]-2-methoxybenzenecarboximidamide
CID 106789546
2-methoxy-5-[[[(E)-pent-3-enyl]amino]methyl]phenol
CID 115629089
4-[(2,3-dimethylbutylamino)methyl]-N'-hydroxy-2-methoxybenzenecarboximidamide
CID 106789774
N'-hydroxy-2-methoxy-5-(propylaminomethyl)benzenecarboximidamide
CID 77065913
(E)-N-[(4-ethoxy-3-methoxyphenyl)methyl]pent-3-en-1-amine
CID 115629151
3-[[3-(N'-hydroxycarbamimidoyl)-4-methoxyphenyl]methylamino]propanamide
CID 77065797
(E)-N-[(3,4,5-trimethoxyphenyl)methyl]pent-3-en-1-amine
CID 115629149
4-[[(5-chlorothiophen-2-yl)methylamino]methyl]-N'-hydroxy-2-methoxybenzenecarboximidamide
CID 106789762
4-[[(2-cyclopropyl-2-hydroxyethyl)amino]methyl]-N'-hydroxy-2-methoxybenzenecarboximidamide
CID 106789636
N'-hydroxy-2-methoxy-4-[(1,2-oxazol-5-ylmethylamino)methyl]benzenecarboximidamide
CID 106418421

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-methoxy-4-[[[(E)-pent-3-enyl]amino]methyl]benzenecarboximidamide?
The IUPAC name of N'-hydroxy-2-methoxy-4-[[[(E)-pent-3-enyl]amino]methyl]benzenecarboximidamide (CID 106789997) is N'-hydroxy-2-methoxy-4-[[[(E)-pent-3-enyl]amino]methyl]benzenecarboximidamide.
What is the SMILES notation for N'-hydroxy-2-methoxy-4-[[[(E)-pent-3-enyl]amino]methyl]benzenecarboximidamide?
The canonical SMILES for N'-hydroxy-2-methoxy-4-[[[(E)-pent-3-enyl]amino]methyl]benzenecarboximidamide is C/C=C/CCNCc1ccc(/C(N)=N/O)c(OC)c1.
What is the InChIKey of N'-hydroxy-2-methoxy-4-[[[(E)-pent-3-enyl]amino]methyl]benzenecarboximidamide?
The InChIKey is LUDSUAXSSQCZEM-ONEGZZNKSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-3-4-5-8-16-10-11-6-7-12(14(15)17-18)13(9-11)19-2/h3-4,6-7,9,16,18H,5,8,10H2,1-2H3,(H2,15,17)/b4-3+.
What are the key properties of N'-hydroxy-2-methoxy-4-[[[(E)-pent-3-enyl]amino]methyl]benzenecarboximidamide?
N'-hydroxy-2-methoxy-4-[[[(E)-pent-3-enyl]amino]methyl]benzenecarboximidamide has a molecular weight of 263.34 g/mol, XLogP of 1.85, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-methoxy-4-[[[(E)-pent-3-enyl]amino]methyl]benzenecarboximidamide is sourced from PubChem (CID 106789997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).