N'-[(3-chloro-4-methoxyphenyl)methoxy]-3-(morpholin-4-ylmethyl)benzenecarboximidamide

C20H24ClN3O3 — CID 126799666

IUPACN'-[(3-chloro-4-methoxyphenyl)methoxy]-3-(morpholin-4-ylmethyl)benzenecarboximidamide
SMILESCOc1ccc(CON=C(N)c2cccc(CN3CCOCC3)c2)cc1Cl
InChIInChI=1S/C20H24ClN3O3/c1-25-19-6-5-16(12-18(19)21)14-27-23-20(22)17-4-2-3-15(11-17)13-24-7-9-26-10-8-24/h2-6,11-12H,7-10,13-14H2,1H3,(H2,22,23)
InChIKeyZDTKNMOZBSGLOO-UHFFFAOYSA-N
MW389.88 g/mol
LogP3.02
Rot. Bonds7

About N'-[(3-chloro-4-methoxyphenyl)methoxy]-3-(morpholin-4-ylmethyl)benzenecarboximidamide

N'-[(3-chloro-4-methoxyphenyl)methoxy]-3-(morpholin-4-ylmethyl)benzenecarboximidamide (PubChem CID 126799666) has the molecular formula C20H24ClN3O3 and a molecular weight of 389.88 g/mol. Its IUPAC name is N'-[(3-chloro-4-methoxyphenyl)methoxy]-3-(morpholin-4-ylmethyl)benzenecarboximidamide.

Molecular Properties

Compound NameN'-[(3-chloro-4-methoxyphenyl)methoxy]-3-(morpholin-4-ylmethyl)benzenecarboximidamide
PubChem CID126799666
Molecular FormulaC20H24ClN3O3
Molecular Weight389.88 g/mol
Exact Mass389.15
IUPAC NameN'-[(3-chloro-4-methoxyphenyl)methoxy]-3-(morpholin-4-ylmethyl)benzenecarboximidamide
SMILESCOc1ccc(CON=C(N)c2cccc(CN3CCOCC3)c2)cc1Cl
InChIInChI=1S/C20H24ClN3O3/c1-25-19-6-5-16(12-18(19)21)14-27-23-20(22)17-4-2-3-15(11-17)13-24-7-9-26-10-8-24/h2-6,11-12H,7-10,13-14H2,1H3,(H2,22,23)
InChIKeyZDTKNMOZBSGLOO-UHFFFAOYSA-N
XLogP3.02
TPSA69.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.88
LogP ≤ 53.02
H-Bond Donors ≤ 51
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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(Z)-[amino-[3-(piperidin-1-ylmethyl)phenyl]methylidene]amino]oxy-N-(3-chloro-4-methoxyphenyl)acetamide
CID 52909258
N'-hydroxy-3-(morpholin-4-ylmethyl)benzenecarboximidamide
CID 24694925
3-[[(Z)-[amino-[3-(morpholin-4-ylmethyl)phenyl]methylidene]amino]oxymethyl]-N-(furan-2-ylmethyl)benzamide
CID 134033244
2-[(E)-[amino-[3-(morpholin-4-ylmethyl)phenyl]methylidene]amino]oxy-N-[1-(4-chlorophenyl)ethyl]acetamide
CID 60615571
N'-[(4-fluorophenyl)methoxy]-3-(piperidin-1-ylmethyl)benzenecarboximidamide
CID 76870977
1-(3-chloro-4-methoxyphenyl)-2-[[4-(morpholin-4-ylmethyl)phenyl]methyl]guanidine
CID 111033549
N'-hydroxy-2-methoxy-5-(1,4-oxazepan-4-ylmethyl)benzenecarboximidamide
CID 77065748
N'-[(3-methyl-1,2-oxazol-5-yl)methoxy]-4-(morpholin-4-ylmethyl)benzenecarboximidamide
CID 71882995
N-(2,5-dimethoxyphenyl)-3-(morpholin-4-ylmethyl)benzamide
CID 28572616
2-[(Z)-[amino-[3-(piperidin-1-ylmethyl)phenyl]methylidene]amino]oxyacetamide
CID 52767527
bis[3-(morpholin-4-ylmethyl)phenyl]methanone
CID 152548032
2-methoxy-5-(morpholin-4-ylmethyl)benzoic acid
CID 46785387

Frequently Asked Questions

What is the IUPAC name of N'-[(3-chloro-4-methoxyphenyl)methoxy]-3-(morpholin-4-ylmethyl)benzenecarboximidamide?
The IUPAC name of N'-[(3-chloro-4-methoxyphenyl)methoxy]-3-(morpholin-4-ylmethyl)benzenecarboximidamide (CID 126799666) is N'-[(3-chloro-4-methoxyphenyl)methoxy]-3-(morpholin-4-ylmethyl)benzenecarboximidamide.
What is the SMILES notation for N'-[(3-chloro-4-methoxyphenyl)methoxy]-3-(morpholin-4-ylmethyl)benzenecarboximidamide?
The canonical SMILES for N'-[(3-chloro-4-methoxyphenyl)methoxy]-3-(morpholin-4-ylmethyl)benzenecarboximidamide is COc1ccc(CON=C(N)c2cccc(CN3CCOCC3)c2)cc1Cl.
What is the InChIKey of N'-[(3-chloro-4-methoxyphenyl)methoxy]-3-(morpholin-4-ylmethyl)benzenecarboximidamide?
The InChIKey is ZDTKNMOZBSGLOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN3O3/c1-25-19-6-5-16(12-18(19)21)14-27-23-20(22)17-4-2-3-15(11-17)13-24-7-9-26-10-8-24/h2-6,11-12H,7-10,13-14H2,1H3,(H2,22,23).
What are the key properties of N'-[(3-chloro-4-methoxyphenyl)methoxy]-3-(morpholin-4-ylmethyl)benzenecarboximidamide?
N'-[(3-chloro-4-methoxyphenyl)methoxy]-3-(morpholin-4-ylmethyl)benzenecarboximidamide has a molecular weight of 389.88 g/mol, XLogP of 3.02, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(3-chloro-4-methoxyphenyl)methoxy]-3-(morpholin-4-ylmethyl)benzenecarboximidamide is sourced from PubChem (CID 126799666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).