(E)-N-benzhydryl-3-(3,4,5-trimethoxyphenyl)prop-2-enamide

C25H25NO4 — CID 1186267

IUPAC(E)-N-benzhydryl-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
SMILESCOc1cc(/C=C/C(=O)NC(c2ccccc2)c2ccccc2)cc(OC)c1OC
InChIInChI=1S/C25H25NO4/c1-28-21-16-18(17-22(29-2)25(21)30-3)14-15-23(27)26-24(19-10-6-4-7-11-19)20-12-8-5-9-13-20/h4-17,24H,1-3H3,(H,26,27)/b15-14+
InChIKeyHEZDVPPPMDUKFM-CCEZHUSRSA-N
MW403.48 g/mol
LogP4.63
Rot. Bonds8

About (E)-N-benzhydryl-3-(3,4,5-trimethoxyphenyl)prop-2-enamide

(E)-N-benzhydryl-3-(3,4,5-trimethoxyphenyl)prop-2-enamide (PubChem CID 1186267) has the molecular formula C25H25NO4 and a molecular weight of 403.48 g/mol. Its IUPAC name is (E)-N-benzhydryl-3-(3,4,5-trimethoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-benzhydryl-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
PubChem CID1186267
Molecular FormulaC25H25NO4
Molecular Weight403.48 g/mol
Exact Mass403.18
IUPAC Name(E)-N-benzhydryl-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
SMILESCOc1cc(/C=C/C(=O)NC(c2ccccc2)c2ccccc2)cc(OC)c1OC
InChIInChI=1S/C25H25NO4/c1-28-21-16-18(17-22(29-2)25(21)30-3)14-15-23(27)26-24(19-10-6-4-7-11-19)20-12-8-5-9-13-20/h4-17,24H,1-3H3,(H,26,27)/b15-14+
InChIKeyHEZDVPPPMDUKFM-CCEZHUSRSA-N
XLogP4.63
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.48
LogP ≤ 54.63
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

(E)-3-(3-bromo-4,5-dimethoxyphenyl)-N-(1-phenylethyl)prop-2-enamide
CID 19201958
(E)-N-[(1R)-1-(2-methoxyphenyl)ethyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 7719138
(E)-3-(3-chloro-4-ethoxy-5-methoxyphenyl)-N-[(1R)-1-phenylethyl]prop-2-enamide
CID 9315187
(E)-N-(1-hydroxypropan-2-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 5355806
N-(4-phenylphenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 78569110
(E)-N-[2-methyl-1-(phenylcarbamothioylamino)propyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 118181323
(E)-N'-(2-phenylacetyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enehydrazide
CID 24637532
(E)-N-[1-(4-methylphenyl)propyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 55338673
[(1S)-1-phenylethyl] (E)-3-(3-chloro-4,5-dimethoxyphenyl)prop-2-enoate
CID 7757565
(E)-N-[(1R)-1-cyclopropylethyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 8855453
(E)-N-benzhydryl-3-(3,5-ditert-butyl-4-hydroxyphenyl)prop-2-enamide
CID 24843635
(E)-N-[(4-methylphenyl)-phenylmethyl]-3-phenylprop-2-enamide
CID 132760659

Frequently Asked Questions

What is the IUPAC name of (E)-N-benzhydryl-3-(3,4,5-trimethoxyphenyl)prop-2-enamide?
The IUPAC name of (E)-N-benzhydryl-3-(3,4,5-trimethoxyphenyl)prop-2-enamide (CID 1186267) is (E)-N-benzhydryl-3-(3,4,5-trimethoxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-benzhydryl-3-(3,4,5-trimethoxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-benzhydryl-3-(3,4,5-trimethoxyphenyl)prop-2-enamide is COc1cc(/C=C/C(=O)NC(c2ccccc2)c2ccccc2)cc(OC)c1OC.
What is the InChIKey of (E)-N-benzhydryl-3-(3,4,5-trimethoxyphenyl)prop-2-enamide?
The InChIKey is HEZDVPPPMDUKFM-CCEZHUSRSA-N. The full InChI is InChI=1S/C25H25NO4/c1-28-21-16-18(17-22(29-2)25(21)30-3)14-15-23(27)26-24(19-10-6-4-7-11-19)20-12-8-5-9-13-20/h4-17,24H,1-3H3,(H,26,27)/b15-14+.
What are the key properties of (E)-N-benzhydryl-3-(3,4,5-trimethoxyphenyl)prop-2-enamide?
(E)-N-benzhydryl-3-(3,4,5-trimethoxyphenyl)prop-2-enamide has a molecular weight of 403.48 g/mol, XLogP of 4.63, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-benzhydryl-3-(3,4,5-trimethoxyphenyl)prop-2-enamide is sourced from PubChem (CID 1186267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).