(E)-N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-N-methyl-3-phenylpent-2-enamide

C22H27NO4 — CID 110308876

IUPAC(E)-N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-N-methyl-3-phenylpent-2-enamide
SMILESCC/C(=C\C(=O)N(C)CC(O)c1ccc(OC)c(OC)c1)c1ccccc1
InChIInChI=1S/C22H27NO4/c1-5-16(17-9-7-6-8-10-17)14-22(25)23(2)15-19(24)18-11-12-20(26-3)21(13-18)27-4/h6-14,19,24H,5,15H2,1-4H3/b16-14+
InChIKeyDDUATWUYMJVYOJ-JQIJEIRASA-N
MW369.46 g/mol
LogP3.69
Rot. Bonds8

About (E)-N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-N-methyl-3-phenylpent-2-enamide

(E)-N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-N-methyl-3-phenylpent-2-enamide (PubChem CID 110308876) has the molecular formula C22H27NO4 and a molecular weight of 369.46 g/mol. Its IUPAC name is (E)-N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-N-methyl-3-phenylpent-2-enamide.

Molecular Properties

Compound Name(E)-N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-N-methyl-3-phenylpent-2-enamide
PubChem CID110308876
Molecular FormulaC22H27NO4
Molecular Weight369.46 g/mol
Exact Mass369.19
IUPAC Name(E)-N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-N-methyl-3-phenylpent-2-enamide
SMILESCC/C(=C\C(=O)N(C)CC(O)c1ccc(OC)c(OC)c1)c1ccccc1
InChIInChI=1S/C22H27NO4/c1-5-16(17-9-7-6-8-10-17)14-22(25)23(2)15-19(24)18-11-12-20(26-3)21(13-18)27-4/h6-14,19,24H,5,15H2,1-4H3/b16-14+
InChIKeyDDUATWUYMJVYOJ-JQIJEIRASA-N
XLogP3.69
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.46
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-N-methyl-3-phenylbenzamide
CID 110291255
N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-N,2-dimethyl-3-phenylpropanamide
CID 110629739
N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-N-methyl-5-phenylpentanamide
CID 110308885
3-butan-2-yl-1-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-1-methylurea
CID 110629742
(1S)-1-(3,4-dimethoxyphenyl)-2-(dimethylamino)ethanol
CID 40574216
(E)-N-methoxy-N-methyl-3-phenylpent-2-enamide
CID 135086786
(1R)-1-(3,4-dimethoxyphenyl)propan-1-ol
CID 873110
4-(2-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-N-methylbutanamide
CID 110629772
N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-1-(2-fluorophenyl)-N-methylcyclopropane-1-carboxamide
CID 110629778
2,2-bis(3,4-dimethoxyphenyl)-1-phenylethanone
CID 71357609
methyl (3S)-3-(3,4-dimethoxyphenyl)-3-hydroxypropanoate
CID 11042831
N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-3-(4-fluorophenyl)-N,2-dimethylpropanamide
CID 110308894

Frequently Asked Questions

What is the IUPAC name of (E)-N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-N-methyl-3-phenylpent-2-enamide?
The IUPAC name of (E)-N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-N-methyl-3-phenylpent-2-enamide (CID 110308876) is (E)-N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-N-methyl-3-phenylpent-2-enamide.
What is the SMILES notation for (E)-N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-N-methyl-3-phenylpent-2-enamide?
The canonical SMILES for (E)-N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-N-methyl-3-phenylpent-2-enamide is CC/C(=C\C(=O)N(C)CC(O)c1ccc(OC)c(OC)c1)c1ccccc1.
What is the InChIKey of (E)-N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-N-methyl-3-phenylpent-2-enamide?
The InChIKey is DDUATWUYMJVYOJ-JQIJEIRASA-N. The full InChI is InChI=1S/C22H27NO4/c1-5-16(17-9-7-6-8-10-17)14-22(25)23(2)15-19(24)18-11-12-20(26-3)21(13-18)27-4/h6-14,19,24H,5,15H2,1-4H3/b16-14+.
What are the key properties of (E)-N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-N-methyl-3-phenylpent-2-enamide?
(E)-N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-N-methyl-3-phenylpent-2-enamide has a molecular weight of 369.46 g/mol, XLogP of 3.69, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-N-methyl-3-phenylpent-2-enamide is sourced from PubChem (CID 110308876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).