(Z)-2-amino-3-[2-amino-3-(3,4,5-trimethoxyphenyl)phenyl]-N-propylprop-2-enamide

C21H27N3O4 — CID 143493644

IUPAC(Z)-2-amino-3-[2-amino-3-(3,4,5-trimethoxyphenyl)phenyl]-N-propylprop-2-enamide
SMILESCCCNC(=O)/C(N)=C/c1cccc(-c2cc(OC)c(OC)c(OC)c2)c1N
InChIInChI=1S/C21H27N3O4/c1-5-9-24-21(25)16(22)10-13-7-6-8-15(19(13)23)14-11-17(26-2)20(28-4)18(12-14)27-3/h6-8,10-12H,5,9,22-23H2,1-4H3,(H,24,25)/b16-10-
InChIKeyOLUWAWMWKGYYHD-YBEGLDIGSA-N
MW385.46 g/mol
LogP2.79
Rot. Bonds8

About (Z)-2-amino-3-[2-amino-3-(3,4,5-trimethoxyphenyl)phenyl]-N-propylprop-2-enamide

(Z)-2-amino-3-[2-amino-3-(3,4,5-trimethoxyphenyl)phenyl]-N-propylprop-2-enamide (PubChem CID 143493644) has the molecular formula C21H27N3O4 and a molecular weight of 385.46 g/mol. Its IUPAC name is (Z)-2-amino-3-[2-amino-3-(3,4,5-trimethoxyphenyl)phenyl]-N-propylprop-2-enamide.

Molecular Properties

Compound Name(Z)-2-amino-3-[2-amino-3-(3,4,5-trimethoxyphenyl)phenyl]-N-propylprop-2-enamide
PubChem CID143493644
Molecular FormulaC21H27N3O4
Molecular Weight385.46 g/mol
Exact Mass385.20
IUPAC Name(Z)-2-amino-3-[2-amino-3-(3,4,5-trimethoxyphenyl)phenyl]-N-propylprop-2-enamide
SMILESCCCNC(=O)/C(N)=C/c1cccc(-c2cc(OC)c(OC)c(OC)c2)c1N
InChIInChI=1S/C21H27N3O4/c1-5-9-24-21(25)16(22)10-13-7-6-8-15(19(13)23)14-11-17(26-2)20(28-4)18(12-14)27-3/h6-8,10-12H,5,9,22-23H2,1-4H3,(H,24,25)/b16-10-
InChIKeyOLUWAWMWKGYYHD-YBEGLDIGSA-N
XLogP2.79
TPSA108.83 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.46
LogP ≤ 52.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-2-amino-3-[2-amino-3-(3,4,5-trimethoxyphenyl)phenyl]-N-propylprop-2-enamide?
The IUPAC name of (Z)-2-amino-3-[2-amino-3-(3,4,5-trimethoxyphenyl)phenyl]-N-propylprop-2-enamide (CID 143493644) is (Z)-2-amino-3-[2-amino-3-(3,4,5-trimethoxyphenyl)phenyl]-N-propylprop-2-enamide.
What is the SMILES notation for (Z)-2-amino-3-[2-amino-3-(3,4,5-trimethoxyphenyl)phenyl]-N-propylprop-2-enamide?
The canonical SMILES for (Z)-2-amino-3-[2-amino-3-(3,4,5-trimethoxyphenyl)phenyl]-N-propylprop-2-enamide is CCCNC(=O)/C(N)=C/c1cccc(-c2cc(OC)c(OC)c(OC)c2)c1N.
What is the InChIKey of (Z)-2-amino-3-[2-amino-3-(3,4,5-trimethoxyphenyl)phenyl]-N-propylprop-2-enamide?
The InChIKey is OLUWAWMWKGYYHD-YBEGLDIGSA-N. The full InChI is InChI=1S/C21H27N3O4/c1-5-9-24-21(25)16(22)10-13-7-6-8-15(19(13)23)14-11-17(26-2)20(28-4)18(12-14)27-3/h6-8,10-12H,5,9,22-23H2,1-4H3,(H,24,25)/b16-10-.
What are the key properties of (Z)-2-amino-3-[2-amino-3-(3,4,5-trimethoxyphenyl)phenyl]-N-propylprop-2-enamide?
(Z)-2-amino-3-[2-amino-3-(3,4,5-trimethoxyphenyl)phenyl]-N-propylprop-2-enamide has a molecular weight of 385.46 g/mol, XLogP of 2.79, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-amino-3-[2-amino-3-(3,4,5-trimethoxyphenyl)phenyl]-N-propylprop-2-enamide is sourced from PubChem (CID 143493644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).