(E)-2,3-diamino-3-[2-amino-3-(3-methoxyphenyl)phenyl]-N-propylprop-2-enamide

C19H24N4O2 — CID 143493624

IUPAC(E)-2,3-diamino-3-[2-amino-3-(3-methoxyphenyl)phenyl]-N-propylprop-2-enamide
SMILESCCCNC(=O)/C(N)=C(\N)c1cccc(-c2cccc(OC)c2)c1N
InChIInChI=1S/C19H24N4O2/c1-3-10-23-19(24)18(22)17(21)15-9-5-8-14(16(15)20)12-6-4-7-13(11-12)25-2/h4-9,11H,3,10,20-22H2,1-2H3,(H,23,24)/b18-17+
InChIKeyXODBYVOUFQOOIS-ISLYRVAYSA-N
MW340.43 g/mol
LogP2.06
Rot. Bonds6

About (E)-2,3-diamino-3-[2-amino-3-(3-methoxyphenyl)phenyl]-N-propylprop-2-enamide

(E)-2,3-diamino-3-[2-amino-3-(3-methoxyphenyl)phenyl]-N-propylprop-2-enamide (PubChem CID 143493624) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is (E)-2,3-diamino-3-[2-amino-3-(3-methoxyphenyl)phenyl]-N-propylprop-2-enamide.

Molecular Properties

Compound Name(E)-2,3-diamino-3-[2-amino-3-(3-methoxyphenyl)phenyl]-N-propylprop-2-enamide
PubChem CID143493624
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name(E)-2,3-diamino-3-[2-amino-3-(3-methoxyphenyl)phenyl]-N-propylprop-2-enamide
SMILESCCCNC(=O)/C(N)=C(\N)c1cccc(-c2cccc(OC)c2)c1N
InChIInChI=1S/C19H24N4O2/c1-3-10-23-19(24)18(22)17(21)15-9-5-8-14(16(15)20)12-6-4-7-13(11-12)25-2/h4-9,11H,3,10,20-22H2,1-2H3,(H,23,24)/b18-17+
InChIKeyXODBYVOUFQOOIS-ISLYRVAYSA-N
XLogP2.06
TPSA116.39 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(E)-2,3-diamino-3-[2-amino-3-(5-methoxy-2-methylphenyl)phenyl]-N-propylprop-2-enamide
CID 143493516
(E)-2,3-diamino-3-[2-amino-3-(5-chloro-6-methoxy-3-pyridinyl)phenyl]-N-propylprop-2-enamide
CID 143493545
(E)-2,3-diamino-3-[2-amino-3-(5-chloro-2-hydroxyphenyl)phenyl]-N-propylprop-2-enamide
CID 143493520
(E)-2,3-diamino-3-[2-amino-3-(2-fluoro-5-methylphenyl)phenyl]-N-propylprop-2-enamide
CID 143493515
(E)-2,3-diamino-3-[2-amino-3-(2,5-dimethoxyphenyl)phenyl]-N-prop-2-enylprop-2-enamide
CID 143493458
(E)-2,3-diamino-3-[2-amino-3-(2,3-dimethylphenyl)-4-fluorophenyl]-N-propylprop-2-enamide
CID 143493499
(E)-2,3-diamino-3-[2-amino-3-(3,5-dichlorophenyl)-4-fluorophenyl]-N-propylprop-2-enamide
CID 143493478
(2S)-2-(3-methoxyphenoxy)-N-propylpropanamide
CID 30392232
(Z)-2-amino-3-[2-amino-3-(3,4,5-trimethoxyphenyl)phenyl]-N-propylprop-2-enamide
CID 143493644
methyl 2-amino-3-(4-methoxyphenyl)benzoate
CID 171919931
methyl 2-amino-3-(3-methylphenyl)benzoate
CID 171919919
2-amino-5-methoxy-N-propylbenzamide
CID 60954595

Frequently Asked Questions

What is the IUPAC name of (E)-2,3-diamino-3-[2-amino-3-(3-methoxyphenyl)phenyl]-N-propylprop-2-enamide?
The IUPAC name of (E)-2,3-diamino-3-[2-amino-3-(3-methoxyphenyl)phenyl]-N-propylprop-2-enamide (CID 143493624) is (E)-2,3-diamino-3-[2-amino-3-(3-methoxyphenyl)phenyl]-N-propylprop-2-enamide.
What is the SMILES notation for (E)-2,3-diamino-3-[2-amino-3-(3-methoxyphenyl)phenyl]-N-propylprop-2-enamide?
The canonical SMILES for (E)-2,3-diamino-3-[2-amino-3-(3-methoxyphenyl)phenyl]-N-propylprop-2-enamide is CCCNC(=O)/C(N)=C(\N)c1cccc(-c2cccc(OC)c2)c1N.
What is the InChIKey of (E)-2,3-diamino-3-[2-amino-3-(3-methoxyphenyl)phenyl]-N-propylprop-2-enamide?
The InChIKey is XODBYVOUFQOOIS-ISLYRVAYSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-3-10-23-19(24)18(22)17(21)15-9-5-8-14(16(15)20)12-6-4-7-13(11-12)25-2/h4-9,11H,3,10,20-22H2,1-2H3,(H,23,24)/b18-17+.
What are the key properties of (E)-2,3-diamino-3-[2-amino-3-(3-methoxyphenyl)phenyl]-N-propylprop-2-enamide?
(E)-2,3-diamino-3-[2-amino-3-(3-methoxyphenyl)phenyl]-N-propylprop-2-enamide has a molecular weight of 340.43 g/mol, XLogP of 2.06, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2,3-diamino-3-[2-amino-3-(3-methoxyphenyl)phenyl]-N-propylprop-2-enamide is sourced from PubChem (CID 143493624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).