N-[4-(dimethylamino)phenyl]-3-(2,3,4-trimethoxyphenyl)prop-2-enamide

C20H24N2O4 — CID 3794891

IUPACN-[4-(dimethylamino)phenyl]-3-(2,3,4-trimethoxyphenyl)prop-2-enamide
SMILESCOc1ccc(C=CC(=O)Nc2ccc(N(C)C)cc2)c(OC)c1OC
InChIInChI=1S/C20H24N2O4/c1-22(2)16-10-8-15(9-11-16)21-18(23)13-7-14-6-12-17(24-3)20(26-5)19(14)25-4/h6-13H,1-5H3,(H,21,23)
InChIKeyGRFMUNNXTJVABN-UHFFFAOYSA-N
MW356.42 g/mol
LogP3.43
Rot. Bonds7

About N-[4-(dimethylamino)phenyl]-3-(2,3,4-trimethoxyphenyl)prop-2-enamide

N-[4-(dimethylamino)phenyl]-3-(2,3,4-trimethoxyphenyl)prop-2-enamide (PubChem CID 3794891) has the molecular formula C20H24N2O4 and a molecular weight of 356.42 g/mol. Its IUPAC name is N-[4-(dimethylamino)phenyl]-3-(2,3,4-trimethoxyphenyl)prop-2-enamide.

Molecular Properties

Compound NameN-[4-(dimethylamino)phenyl]-3-(2,3,4-trimethoxyphenyl)prop-2-enamide
PubChem CID3794891
Molecular FormulaC20H24N2O4
Molecular Weight356.42 g/mol
Exact Mass356.17
IUPAC NameN-[4-(dimethylamino)phenyl]-3-(2,3,4-trimethoxyphenyl)prop-2-enamide
SMILESCOc1ccc(C=CC(=O)Nc2ccc(N(C)C)cc2)c(OC)c1OC
InChIInChI=1S/C20H24N2O4/c1-22(2)16-10-8-15(9-11-16)21-18(23)13-7-14-6-12-17(24-3)20(26-5)19(14)25-4/h6-13H,1-5H3,(H,21,23)
InChIKeyGRFMUNNXTJVABN-UHFFFAOYSA-N
XLogP3.43
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-(4-iodophenyl)-3-(2,3,4-trimethoxyphenyl)prop-2-enamide
CID 3285237
(E)-N-[4-(trifluoromethyl)phenyl]-3-(2,3,4-trimethoxyphenyl)prop-2-enamide
CID 126415125
(Z)-N-(3-chloro-4-iodophenyl)-3-(2,3,4-trimethoxyphenyl)prop-2-enamide
CID 22301745
(E)-N-(4-acetamidophenyl)-3-(2,3-dimethoxyphenyl)prop-2-enamide
CID 7945153
N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-3-(2,3,4-trimethoxyphenyl)prop-2-enamide
CID 3559245
(E)-N-[4-(carbamoylamino)phenyl]-3-(2,3-dimethoxyphenyl)prop-2-enamide
CID 46518654
(E)-3-(2,3-dimethoxyphenyl)-N-(4-iodophenyl)prop-2-enamide
CID 2677492
N-ethyl-3-(2,3,4-trimethoxyphenyl)prop-2-enamide
CID 3905301
N-[4-(dimethylamino)phenyl]-3-(4-ethoxy-3-methoxyphenyl)prop-2-enamide
CID 5183388
(E)-N-[4-(dimethylamino)phenyl]-3-(3-ethoxy-4-methoxyphenyl)prop-2-enamide
CID 78776552
(E)-3-(2,3-dimethoxyphenyl)-N-[4-[ethyl(propan-2-yl)amino]phenyl]prop-2-enamide
CID 7551635
N-(2,4-dimethoxyphenyl)-3-(2,3,4-trimethoxyphenyl)prop-2-enamide
CID 4015229

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)phenyl]-3-(2,3,4-trimethoxyphenyl)prop-2-enamide?
The IUPAC name of N-[4-(dimethylamino)phenyl]-3-(2,3,4-trimethoxyphenyl)prop-2-enamide (CID 3794891) is N-[4-(dimethylamino)phenyl]-3-(2,3,4-trimethoxyphenyl)prop-2-enamide.
What is the SMILES notation for N-[4-(dimethylamino)phenyl]-3-(2,3,4-trimethoxyphenyl)prop-2-enamide?
The canonical SMILES for N-[4-(dimethylamino)phenyl]-3-(2,3,4-trimethoxyphenyl)prop-2-enamide is COc1ccc(C=CC(=O)Nc2ccc(N(C)C)cc2)c(OC)c1OC.
What is the InChIKey of N-[4-(dimethylamino)phenyl]-3-(2,3,4-trimethoxyphenyl)prop-2-enamide?
The InChIKey is GRFMUNNXTJVABN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4/c1-22(2)16-10-8-15(9-11-16)21-18(23)13-7-14-6-12-17(24-3)20(26-5)19(14)25-4/h6-13H,1-5H3,(H,21,23).
What are the key properties of N-[4-(dimethylamino)phenyl]-3-(2,3,4-trimethoxyphenyl)prop-2-enamide?
N-[4-(dimethylamino)phenyl]-3-(2,3,4-trimethoxyphenyl)prop-2-enamide has a molecular weight of 356.42 g/mol, XLogP of 3.43, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylamino)phenyl]-3-(2,3,4-trimethoxyphenyl)prop-2-enamide is sourced from PubChem (CID 3794891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).