(Z)-3-[bis(2-methoxyethyl)amino]-2-cyano-N-[(4-methoxyphenyl)methyl]prop-2-enamide

C18H25N3O4 — CID 108840833

IUPAC(Z)-3-[bis(2-methoxyethyl)amino]-2-cyano-N-[(4-methoxyphenyl)methyl]prop-2-enamide
SMILESCOCCN(/C=C(/C#N)C(=O)NCc1ccc(OC)cc1)CCOC
InChIInChI=1S/C18H25N3O4/c1-23-10-8-21(9-11-24-2)14-16(12-19)18(22)20-13-15-4-6-17(25-3)7-5-15/h4-7,14H,8-11,13H2,1-3H3,(H,20,22)/b16-14-
InChIKeyHNHAAHLALORGAU-PEZBUJJGSA-N
MW347.42 g/mol
LogP1.31
Rot. Bonds11

About (Z)-3-[bis(2-methoxyethyl)amino]-2-cyano-N-[(4-methoxyphenyl)methyl]prop-2-enamide

(Z)-3-[bis(2-methoxyethyl)amino]-2-cyano-N-[(4-methoxyphenyl)methyl]prop-2-enamide (PubChem CID 108840833) has the molecular formula C18H25N3O4 and a molecular weight of 347.42 g/mol. Its IUPAC name is (Z)-3-[bis(2-methoxyethyl)amino]-2-cyano-N-[(4-methoxyphenyl)methyl]prop-2-enamide.

Molecular Properties

Compound Name(Z)-3-[bis(2-methoxyethyl)amino]-2-cyano-N-[(4-methoxyphenyl)methyl]prop-2-enamide
PubChem CID108840833
Molecular FormulaC18H25N3O4
Molecular Weight347.42 g/mol
Exact Mass347.18
IUPAC Name(Z)-3-[bis(2-methoxyethyl)amino]-2-cyano-N-[(4-methoxyphenyl)methyl]prop-2-enamide
SMILESCOCCN(/C=C(/C#N)C(=O)NCc1ccc(OC)cc1)CCOC
InChIInChI=1S/C18H25N3O4/c1-23-10-8-21(9-11-24-2)14-16(12-19)18(22)20-13-15-4-6-17(25-3)7-5-15/h4-7,14H,8-11,13H2,1-3H3,(H,20,22)/b16-14-
InChIKeyHNHAAHLALORGAU-PEZBUJJGSA-N
XLogP1.31
TPSA83.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (Z)-3-[bis(2-methoxyethyl)amino]-2-cyano-N-[(4-methoxyphenyl)methyl]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

(Z)-2-cyano-3-(2-hydroxyethylamino)-N-[(4-methoxyphenyl)methyl]prop-2-enamide
CID 108840827
(E)-2-cyano-N-[(4-methoxyphenyl)methyl]-3-(4-methylphenyl)prop-2-enamide
CID 31935276
(Z)-2-cyano-3-(2-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]prop-2-enamide
CID 124626592
(Z)-2-cyano-3-(2-hydroxyanilino)-N-[(4-methoxyphenyl)methyl]prop-2-enamide
CID 108840720
(Z)-2-cyano-N-[(4-methoxyphenyl)methyl]-3-(2,4,6-trimethylanilino)prop-2-enamide
CID 108840711
(Z)-2-cyano-3-[2-hydroxyethyl(methyl)amino]-N-[2-(4-methoxyphenyl)ethyl]prop-2-enamide
CID 108838956
(Z)-2-cyano-3-(cycloheptylamino)-N-[(4-methoxyphenyl)methyl]prop-2-enamide
CID 108840865
(Z)-N-benzyl-2-cyano-3-[2-(4-methoxyphenoxy)ethylamino]prop-2-enamide
CID 108842324
(Z)-3-(5-bromo-2-hydroxyphenyl)-2-cyano-N-[(4-methoxyphenyl)methyl]prop-2-enamide
CID 6259214
(Z)-2-cyano-3-(furan-2-ylmethylamino)-N-[(4-methoxyphenyl)methyl]prop-2-enamide
CID 108840740
(Z)-2-cyano-N-[(4-methoxyphenyl)methyl]-3-(4-methylpiperidin-1-yl)prop-2-enamide
CID 108840661
(Z)-2-cyano-3-[(5-hydroxynaphthalen-1-yl)amino]-N-[(4-methoxyphenyl)methyl]prop-2-enamide
CID 108840690

Frequently Asked Questions

What is the IUPAC name of (Z)-3-[bis(2-methoxyethyl)amino]-2-cyano-N-[(4-methoxyphenyl)methyl]prop-2-enamide?
The IUPAC name of (Z)-3-[bis(2-methoxyethyl)amino]-2-cyano-N-[(4-methoxyphenyl)methyl]prop-2-enamide (CID 108840833) is (Z)-3-[bis(2-methoxyethyl)amino]-2-cyano-N-[(4-methoxyphenyl)methyl]prop-2-enamide.
What is the SMILES notation for (Z)-3-[bis(2-methoxyethyl)amino]-2-cyano-N-[(4-methoxyphenyl)methyl]prop-2-enamide?
The canonical SMILES for (Z)-3-[bis(2-methoxyethyl)amino]-2-cyano-N-[(4-methoxyphenyl)methyl]prop-2-enamide is COCCN(/C=C(/C#N)C(=O)NCc1ccc(OC)cc1)CCOC.
What is the InChIKey of (Z)-3-[bis(2-methoxyethyl)amino]-2-cyano-N-[(4-methoxyphenyl)methyl]prop-2-enamide?
The InChIKey is HNHAAHLALORGAU-PEZBUJJGSA-N. The full InChI is InChI=1S/C18H25N3O4/c1-23-10-8-21(9-11-24-2)14-16(12-19)18(22)20-13-15-4-6-17(25-3)7-5-15/h4-7,14H,8-11,13H2,1-3H3,(H,20,22)/b16-14-.
What are the key properties of (Z)-3-[bis(2-methoxyethyl)amino]-2-cyano-N-[(4-methoxyphenyl)methyl]prop-2-enamide?
(Z)-3-[bis(2-methoxyethyl)amino]-2-cyano-N-[(4-methoxyphenyl)methyl]prop-2-enamide has a molecular weight of 347.42 g/mol, XLogP of 1.31, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-[bis(2-methoxyethyl)amino]-2-cyano-N-[(4-methoxyphenyl)methyl]prop-2-enamide is sourced from PubChem (CID 108840833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).