(Z)-N-(4-amino-3-methoxyphenyl)-3-(2-methoxyphenyl)-N'-methyl-3-(methylideneamino)prop-2-enimidamide

C19H22N4O2 — CID 129015180

IUPAC(Z)-N-(4-amino-3-methoxyphenyl)-3-(2-methoxyphenyl)-N'-methyl-3-(methylideneamino)prop-2-enimidamide
SMILESC=N/C(=C\C(=N/C)Nc1ccc(N)c(OC)c1)c1ccccc1OC
InChIInChI=1S/C19H22N4O2/c1-21-16(14-7-5-6-8-17(14)24-3)12-19(22-2)23-13-9-10-15(20)18(11-13)25-4/h5-12H,1,20H2,2-4H3,(H,22,23)/b16-12-
InChIKeyQUZCQAGCQXVNAW-VBKFSLOCSA-N
MW338.41 g/mol
LogP3.47
Rot. Bonds6

About (Z)-N-(4-amino-3-methoxyphenyl)-3-(2-methoxyphenyl)-N'-methyl-3-(methylideneamino)prop-2-enimidamide

(Z)-N-(4-amino-3-methoxyphenyl)-3-(2-methoxyphenyl)-N'-methyl-3-(methylideneamino)prop-2-enimidamide (PubChem CID 129015180) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is (Z)-N-(4-amino-3-methoxyphenyl)-3-(2-methoxyphenyl)-N'-methyl-3-(methylideneamino)prop-2-enimidamide.

Molecular Properties

Compound Name(Z)-N-(4-amino-3-methoxyphenyl)-3-(2-methoxyphenyl)-N'-methyl-3-(methylideneamino)prop-2-enimidamide
PubChem CID129015180
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC Name(Z)-N-(4-amino-3-methoxyphenyl)-3-(2-methoxyphenyl)-N'-methyl-3-(methylideneamino)prop-2-enimidamide
SMILESC=N/C(=C\C(=N/C)Nc1ccc(N)c(OC)c1)c1ccccc1OC
InChIInChI=1S/C19H22N4O2/c1-21-16(14-7-5-6-8-17(14)24-3)12-19(22-2)23-13-9-10-15(20)18(11-13)25-4/h5-12H,1,20H2,2-4H3,(H,22,23)/b16-12-
InChIKeyQUZCQAGCQXVNAW-VBKFSLOCSA-N
XLogP3.47
TPSA81.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N-[5-[[C-[(Z)-2-(4,5-difluoro-2-methoxyphenyl)-2-(methylideneamino)ethenyl]-N-methylcarbonimidoyl]amino]-2-methoxyphenyl]formamide
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1-(3,4-dimethoxyphenyl)-3-[(Z)-1-(2-methoxyphenyl)ethylideneamino]thiourea
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Frequently Asked Questions

What is the IUPAC name of (Z)-N-(4-amino-3-methoxyphenyl)-3-(2-methoxyphenyl)-N'-methyl-3-(methylideneamino)prop-2-enimidamide?
The IUPAC name of (Z)-N-(4-amino-3-methoxyphenyl)-3-(2-methoxyphenyl)-N'-methyl-3-(methylideneamino)prop-2-enimidamide (CID 129015180) is (Z)-N-(4-amino-3-methoxyphenyl)-3-(2-methoxyphenyl)-N'-methyl-3-(methylideneamino)prop-2-enimidamide.
What is the SMILES notation for (Z)-N-(4-amino-3-methoxyphenyl)-3-(2-methoxyphenyl)-N'-methyl-3-(methylideneamino)prop-2-enimidamide?
The canonical SMILES for (Z)-N-(4-amino-3-methoxyphenyl)-3-(2-methoxyphenyl)-N'-methyl-3-(methylideneamino)prop-2-enimidamide is C=N/C(=C\C(=N/C)Nc1ccc(N)c(OC)c1)c1ccccc1OC.
What is the InChIKey of (Z)-N-(4-amino-3-methoxyphenyl)-3-(2-methoxyphenyl)-N'-methyl-3-(methylideneamino)prop-2-enimidamide?
The InChIKey is QUZCQAGCQXVNAW-VBKFSLOCSA-N. The full InChI is InChI=1S/C19H22N4O2/c1-21-16(14-7-5-6-8-17(14)24-3)12-19(22-2)23-13-9-10-15(20)18(11-13)25-4/h5-12H,1,20H2,2-4H3,(H,22,23)/b16-12-.
What are the key properties of (Z)-N-(4-amino-3-methoxyphenyl)-3-(2-methoxyphenyl)-N'-methyl-3-(methylideneamino)prop-2-enimidamide?
(Z)-N-(4-amino-3-methoxyphenyl)-3-(2-methoxyphenyl)-N'-methyl-3-(methylideneamino)prop-2-enimidamide has a molecular weight of 338.41 g/mol, XLogP of 3.47, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-(4-amino-3-methoxyphenyl)-3-(2-methoxyphenyl)-N'-methyl-3-(methylideneamino)prop-2-enimidamide is sourced from PubChem (CID 129015180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).