(E)-2-cyano-N-(2-methoxyphenyl)-3-[3-methoxy-4-(2-piperidin-1-ylethoxy)phenyl]prop-2-enamide

C25H29N3O4 — CID 6029117

IUPAC(E)-2-cyano-N-(2-methoxyphenyl)-3-[3-methoxy-4-(2-piperidin-1-ylethoxy)phenyl]prop-2-enamide
SMILESCOc1ccccc1NC(=O)/C(C#N)=C/c1ccc(OCCN2CCCCC2)c(OC)c1
InChIInChI=1S/C25H29N3O4/c1-30-22-9-5-4-8-21(22)27-25(29)20(18-26)16-19-10-11-23(24(17-19)31-2)32-15-14-28-12-6-3-7-13-28/h4-5,8-11,16-17H,3,6-7,12-15H2,1-2H3,(H,27,29)/b20-16+
InChIKeyVAMXCSXPRONHIC-CAPFRKAQSA-N
MW435.52 g/mol
LogP4.11
Rot. Bonds9

About (E)-2-cyano-N-(2-methoxyphenyl)-3-[3-methoxy-4-(2-piperidin-1-ylethoxy)phenyl]prop-2-enamide

(E)-2-cyano-N-(2-methoxyphenyl)-3-[3-methoxy-4-(2-piperidin-1-ylethoxy)phenyl]prop-2-enamide (PubChem CID 6029117) has the molecular formula C25H29N3O4 and a molecular weight of 435.52 g/mol. Its IUPAC name is (E)-2-cyano-N-(2-methoxyphenyl)-3-[3-methoxy-4-(2-piperidin-1-ylethoxy)phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-2-cyano-N-(2-methoxyphenyl)-3-[3-methoxy-4-(2-piperidin-1-ylethoxy)phenyl]prop-2-enamide
PubChem CID6029117
Molecular FormulaC25H29N3O4
Molecular Weight435.52 g/mol
Exact Mass435.22
IUPAC Name(E)-2-cyano-N-(2-methoxyphenyl)-3-[3-methoxy-4-(2-piperidin-1-ylethoxy)phenyl]prop-2-enamide
SMILESCOc1ccccc1NC(=O)/C(C#N)=C/c1ccc(OCCN2CCCCC2)c(OC)c1
InChIInChI=1S/C25H29N3O4/c1-30-22-9-5-4-8-21(22)27-25(29)20(18-26)16-19-10-11-23(24(17-19)31-2)32-15-14-28-12-6-3-7-13-28/h4-5,8-11,16-17H,3,6-7,12-15H2,1-2H3,(H,27,29)/b20-16+
InChIKeyVAMXCSXPRONHIC-CAPFRKAQSA-N
XLogP4.11
TPSA83.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.52
LogP ≤ 54.11
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'}

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Related Compounds

(E)-3-(4-butoxy-3-methoxyphenyl)-2-cyano-N-(2-hydroxyphenyl)prop-2-enamide
CID 2130612
(E)-3-(4-butoxy-3-methoxyphenyl)-2-cyano-N-(2-methylphenyl)prop-2-enamide
CID 2402235
2-cyano-N-(2-methoxyphenyl)-3-(3-methyl-4-pyrrolidin-1-ylphenyl)prop-2-enamide
CID 3895835
(E)-2-cyano-3-(4-ethoxy-3-methoxyphenyl)-N-(2-phenoxyphenyl)prop-2-enamide
CID 2097168
(E)-2-cyano-3-(4-ethoxy-3-methoxyphenyl)-N-(2-propan-2-ylphenyl)prop-2-enamide
CID 19172833
(E)-N-(2-aminophenyl)-2-cyano-3-(3,4-dimethoxyphenyl)prop-2-enamide
CID 24766984
3-(3-bromo-4-methoxyphenyl)-2-cyano-N-(2-methoxyphenyl)prop-2-enamide
CID 3561943
(E)-2-cyano-3-[3-ethoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-N-(2-methoxyphenyl)prop-2-enamide
CID 6049053
2-cyano-3-[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]prop-2-enoic acid
CID 22687284
(Z)-2-cyano-N-(2,5-dimethylphenyl)-3-[3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]phenyl]prop-2-enamide
CID 126012821
2-cyano-N-(2,3-dichlorophenyl)-3-(3-methoxy-4-pentoxyphenyl)prop-2-enamide
CID 4504067
ethyl 2-[[(Z)-3-(4-butoxy-3-methoxyphenyl)-2-cyanoprop-2-enoyl]amino]benzoate
CID 2130624

Frequently Asked Questions

What is the IUPAC name of (E)-2-cyano-N-(2-methoxyphenyl)-3-[3-methoxy-4-(2-piperidin-1-ylethoxy)phenyl]prop-2-enamide?
The IUPAC name of (E)-2-cyano-N-(2-methoxyphenyl)-3-[3-methoxy-4-(2-piperidin-1-ylethoxy)phenyl]prop-2-enamide (CID 6029117) is (E)-2-cyano-N-(2-methoxyphenyl)-3-[3-methoxy-4-(2-piperidin-1-ylethoxy)phenyl]prop-2-enamide.
What is the SMILES notation for (E)-2-cyano-N-(2-methoxyphenyl)-3-[3-methoxy-4-(2-piperidin-1-ylethoxy)phenyl]prop-2-enamide?
The canonical SMILES for (E)-2-cyano-N-(2-methoxyphenyl)-3-[3-methoxy-4-(2-piperidin-1-ylethoxy)phenyl]prop-2-enamide is COc1ccccc1NC(=O)/C(C#N)=C/c1ccc(OCCN2CCCCC2)c(OC)c1.
What is the InChIKey of (E)-2-cyano-N-(2-methoxyphenyl)-3-[3-methoxy-4-(2-piperidin-1-ylethoxy)phenyl]prop-2-enamide?
The InChIKey is VAMXCSXPRONHIC-CAPFRKAQSA-N. The full InChI is InChI=1S/C25H29N3O4/c1-30-22-9-5-4-8-21(22)27-25(29)20(18-26)16-19-10-11-23(24(17-19)31-2)32-15-14-28-12-6-3-7-13-28/h4-5,8-11,16-17H,3,6-7,12-15H2,1-2H3,(H,27,29)/b20-16+.
What are the key properties of (E)-2-cyano-N-(2-methoxyphenyl)-3-[3-methoxy-4-(2-piperidin-1-ylethoxy)phenyl]prop-2-enamide?
(E)-2-cyano-N-(2-methoxyphenyl)-3-[3-methoxy-4-(2-piperidin-1-ylethoxy)phenyl]prop-2-enamide has a molecular weight of 435.52 g/mol, XLogP of 4.11, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-cyano-N-(2-methoxyphenyl)-3-[3-methoxy-4-(2-piperidin-1-ylethoxy)phenyl]prop-2-enamide is sourced from PubChem (CID 6029117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).