(E)-2-cyano-N,N-dimethyl-3-(2,3,4-trimethoxyphenyl)prop-2-enamide

C15H18N2O4 — CID 102471104

IUPAC(E)-2-cyano-N,N-dimethyl-3-(2,3,4-trimethoxyphenyl)prop-2-enamide
SMILESCOc1ccc(/C=C(\C#N)C(=O)N(C)C)c(OC)c1OC
InChIInChI=1S/C15H18N2O4/c1-17(2)15(18)11(9-16)8-10-6-7-12(19-3)14(21-5)13(10)20-4/h6-8H,1-5H3/b11-8+
InChIKeyBMSNJXPFAGPAEY-DHZHZOJOSA-N
MW290.32 g/mol
LogP1.71
Rot. Bonds5

About (E)-2-cyano-N,N-dimethyl-3-(2,3,4-trimethoxyphenyl)prop-2-enamide

(E)-2-cyano-N,N-dimethyl-3-(2,3,4-trimethoxyphenyl)prop-2-enamide (PubChem CID 102471104) has the molecular formula C15H18N2O4 and a molecular weight of 290.32 g/mol. Its IUPAC name is (E)-2-cyano-N,N-dimethyl-3-(2,3,4-trimethoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-2-cyano-N,N-dimethyl-3-(2,3,4-trimethoxyphenyl)prop-2-enamide
PubChem CID102471104
Molecular FormulaC15H18N2O4
Molecular Weight290.32 g/mol
Exact Mass290.13
IUPAC Name(E)-2-cyano-N,N-dimethyl-3-(2,3,4-trimethoxyphenyl)prop-2-enamide
SMILESCOc1ccc(/C=C(\C#N)C(=O)N(C)C)c(OC)c1OC
InChIInChI=1S/C15H18N2O4/c1-17(2)15(18)11(9-16)8-10-6-7-12(19-3)14(21-5)13(10)20-4/h6-8H,1-5H3/b11-8+
InChIKeyBMSNJXPFAGPAEY-DHZHZOJOSA-N
XLogP1.71
TPSA71.79 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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)-2-cyano-N-(3,4-dimethoxyphenyl)-3-(2,3,4-trimethoxyphenyl)prop-2-enamide
CID 8865972
(E)-2-(3-methylbenzoyl)-3-(2,3,4-trimethoxyphenyl)prop-2-enenitrile
CID 8828201
2-cyano-N-(4-hydroxyphenyl)-3-(2,3,4-trimethoxyphenyl)prop-2-enamide
CID 4288774
(E)-2-formyl-3-(2,3,4-trimethoxyphenyl)prop-2-enenitrile
CID 88796286
benzyl (Z)-2-cyano-3-(2,3,4-trimethoxyphenyl)prop-2-enoate
CID 6275024
(Z)-2-cyano-3-(4-methoxyphenyl)-N,N-dimethylprop-2-enamide
CID 5375025
(E)-2,3-bis(2,3,4-trimethoxyphenyl)prop-2-enenitrile
CID 59044578
methyl (E)-2-cyano-3-(2,3-dimethoxyphenyl)prop-2-enoate
CID 6138999
3-methyl-4-(2,3,4-trimethoxyphenyl)but-3-en-2-one
CID 73015707
(E)-2-cyano-3-(4-methoxy-3-nitrophenyl)-N,N-dimethylprop-2-enamide
CID 1285852
methyl 2-methyl-3-(2,3,4-trimethoxyphenyl)prop-2-enoate
CID 73071521
2-cyano-N,N-dimethyl-3-phenylprop-2-enamide
CID 71357997

Frequently Asked Questions

What is the IUPAC name of (E)-2-cyano-N,N-dimethyl-3-(2,3,4-trimethoxyphenyl)prop-2-enamide?
The IUPAC name of (E)-2-cyano-N,N-dimethyl-3-(2,3,4-trimethoxyphenyl)prop-2-enamide (CID 102471104) is (E)-2-cyano-N,N-dimethyl-3-(2,3,4-trimethoxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-2-cyano-N,N-dimethyl-3-(2,3,4-trimethoxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-2-cyano-N,N-dimethyl-3-(2,3,4-trimethoxyphenyl)prop-2-enamide is COc1ccc(/C=C(\C#N)C(=O)N(C)C)c(OC)c1OC.
What is the InChIKey of (E)-2-cyano-N,N-dimethyl-3-(2,3,4-trimethoxyphenyl)prop-2-enamide?
The InChIKey is BMSNJXPFAGPAEY-DHZHZOJOSA-N. The full InChI is InChI=1S/C15H18N2O4/c1-17(2)15(18)11(9-16)8-10-6-7-12(19-3)14(21-5)13(10)20-4/h6-8H,1-5H3/b11-8+.
What are the key properties of (E)-2-cyano-N,N-dimethyl-3-(2,3,4-trimethoxyphenyl)prop-2-enamide?
(E)-2-cyano-N,N-dimethyl-3-(2,3,4-trimethoxyphenyl)prop-2-enamide has a molecular weight of 290.32 g/mol, XLogP of 1.71, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-cyano-N,N-dimethyl-3-(2,3,4-trimethoxyphenyl)prop-2-enamide is sourced from PubChem (CID 102471104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).