(E)-3-amino-3-[2-amino-3-(2-methoxy-5-methylphenyl)phenyl]-N-methyl-2-(methylideneamino)prop-2-enamide

C19H22N4O2 — CID 89354996

IUPAC(E)-3-amino-3-[2-amino-3-(2-methoxy-5-methylphenyl)phenyl]-N-methyl-2-(methylideneamino)prop-2-enamide
SMILESC=N/C(C(=O)NC)=C(/N)c1cccc(-c2cc(C)ccc2OC)c1N
InChIInChI=1S/C19H22N4O2/c1-11-8-9-15(25-4)14(10-11)12-6-5-7-13(16(12)20)17(21)18(22-2)19(24)23-3/h5-10H,2,20-21H2,1,3-4H3,(H,23,24)/b18-17+
InChIKeyOOAONAQBEJCRML-ISLYRVAYSA-N
MW338.41 g/mol
LogP2.33
Rot. Bonds5

About (E)-3-amino-3-[2-amino-3-(2-methoxy-5-methylphenyl)phenyl]-N-methyl-2-(methylideneamino)prop-2-enamide

(E)-3-amino-3-[2-amino-3-(2-methoxy-5-methylphenyl)phenyl]-N-methyl-2-(methylideneamino)prop-2-enamide (PubChem CID 89354996) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is (E)-3-amino-3-[2-amino-3-(2-methoxy-5-methylphenyl)phenyl]-N-methyl-2-(methylideneamino)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-amino-3-[2-amino-3-(2-methoxy-5-methylphenyl)phenyl]-N-methyl-2-(methylideneamino)prop-2-enamide
PubChem CID89354996
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC Name(E)-3-amino-3-[2-amino-3-(2-methoxy-5-methylphenyl)phenyl]-N-methyl-2-(methylideneamino)prop-2-enamide
SMILESC=N/C(C(=O)NC)=C(/N)c1cccc(-c2cc(C)ccc2OC)c1N
InChIInChI=1S/C19H22N4O2/c1-11-8-9-15(25-4)14(10-11)12-6-5-7-13(16(12)20)17(21)18(22-2)19(24)23-3/h5-10H,2,20-21H2,1,3-4H3,(H,23,24)/b18-17+
InChIKeyOOAONAQBEJCRML-ISLYRVAYSA-N
XLogP2.33
TPSA102.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (E)-3-amino-3-[2-amino-3-(2-methoxy-5-methylphenyl)phenyl]-N-methyl-2-(methylideneamino)prop-2-enamide 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

2-(2-methoxy-5-methylphenyl)benzamide
CID 66715055
(E)-2,3-diamino-3-[2-amino-3-(2,5-dimethoxyphenyl)phenyl]-N-prop-2-enylprop-2-enamide
CID 143493458
1-methoxy-2-[2-methoxy-3-(2-methoxy-5-methylphenyl)phenyl]-4-methylbenzene
CID 13360661
2,6-bis(2-methoxy-5-methylphenyl)phenol
CID 71343652
(E)-2,3-diamino-3-[2-amino-3-(2-fluoro-5-methylphenyl)phenyl]-N-propylprop-2-enamide
CID 143493515
1,2-difluoro-3-(2-methoxy-5-methylphenyl)benzene
CID 119008947
(E)-3-amino-3-[2-amino-3-(4-fluorophenyl)phenyl]-2-(methylideneamino)-N-propylprop-2-enamide
CID 89354995
6-(2-methoxy-5-methylphenyl)pyridine-2-carboxamide
CID 90105150
methyl 2-amino-3-(2-amino-3-methoxycarbonylphenyl)benzoate
CID 167435975
1,2-difluoro-3-(2-methoxy-5-methylphenyl)-5-methylbenzene
CID 143974540
methyl 2-amino-3-(3-methylphenyl)benzoate
CID 171919919
methyl 2-amino-4-(2-methoxy-5-methylphenyl)benzoate
CID 82572853

Frequently Asked Questions

What is the IUPAC name of (E)-3-amino-3-[2-amino-3-(2-methoxy-5-methylphenyl)phenyl]-N-methyl-2-(methylideneamino)prop-2-enamide?
The IUPAC name of (E)-3-amino-3-[2-amino-3-(2-methoxy-5-methylphenyl)phenyl]-N-methyl-2-(methylideneamino)prop-2-enamide (CID 89354996) is (E)-3-amino-3-[2-amino-3-(2-methoxy-5-methylphenyl)phenyl]-N-methyl-2-(methylideneamino)prop-2-enamide.
What is the SMILES notation for (E)-3-amino-3-[2-amino-3-(2-methoxy-5-methylphenyl)phenyl]-N-methyl-2-(methylideneamino)prop-2-enamide?
The canonical SMILES for (E)-3-amino-3-[2-amino-3-(2-methoxy-5-methylphenyl)phenyl]-N-methyl-2-(methylideneamino)prop-2-enamide is C=N/C(C(=O)NC)=C(/N)c1cccc(-c2cc(C)ccc2OC)c1N.
What is the InChIKey of (E)-3-amino-3-[2-amino-3-(2-methoxy-5-methylphenyl)phenyl]-N-methyl-2-(methylideneamino)prop-2-enamide?
The InChIKey is OOAONAQBEJCRML-ISLYRVAYSA-N. The full InChI is InChI=1S/C19H22N4O2/c1-11-8-9-15(25-4)14(10-11)12-6-5-7-13(16(12)20)17(21)18(22-2)19(24)23-3/h5-10H,2,20-21H2,1,3-4H3,(H,23,24)/b18-17+.
What are the key properties of (E)-3-amino-3-[2-amino-3-(2-methoxy-5-methylphenyl)phenyl]-N-methyl-2-(methylideneamino)prop-2-enamide?
(E)-3-amino-3-[2-amino-3-(2-methoxy-5-methylphenyl)phenyl]-N-methyl-2-(methylideneamino)prop-2-enamide has a molecular weight of 338.41 g/mol, XLogP of 2.33, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-amino-3-[2-amino-3-(2-methoxy-5-methylphenyl)phenyl]-N-methyl-2-(methylideneamino)prop-2-enamide is sourced from PubChem (CID 89354996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).