(E)-3-(2,3-dimethoxyphenyl)-N-(2-phenylphenyl)prop-2-enamide

C23H21NO3 — CID 2431859

IUPAC(E)-3-(2,3-dimethoxyphenyl)-N-(2-phenylphenyl)prop-2-enamide
SMILESCOc1cccc(/C=C/C(=O)Nc2ccccc2-c2ccccc2)c1OC
InChIInChI=1S/C23H21NO3/c1-26-21-14-8-11-18(23(21)27-2)15-16-22(25)24-20-13-7-6-12-19(20)17-9-4-3-5-10-17/h3-16H,1-2H3,(H,24,25)/b16-15+
InChIKeyPBJJWQFUKHMUQV-FOCLMDBBSA-N
MW359.43 g/mol
LogP5.02
Rot. Bonds6

About (E)-3-(2,3-dimethoxyphenyl)-N-(2-phenylphenyl)prop-2-enamide

(E)-3-(2,3-dimethoxyphenyl)-N-(2-phenylphenyl)prop-2-enamide (PubChem CID 2431859) has the molecular formula C23H21NO3 and a molecular weight of 359.43 g/mol. Its IUPAC name is (E)-3-(2,3-dimethoxyphenyl)-N-(2-phenylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2,3-dimethoxyphenyl)-N-(2-phenylphenyl)prop-2-enamide
PubChem CID2431859
Molecular FormulaC23H21NO3
Molecular Weight359.43 g/mol
Exact Mass359.15
IUPAC Name(E)-3-(2,3-dimethoxyphenyl)-N-(2-phenylphenyl)prop-2-enamide
SMILESCOc1cccc(/C=C/C(=O)Nc2ccccc2-c2ccccc2)c1OC
InChIInChI=1S/C23H21NO3/c1-26-21-14-8-11-18(23(21)27-2)15-16-22(25)24-20-13-7-6-12-19(20)17-9-4-3-5-10-17/h3-16H,1-2H3,(H,24,25)/b16-15+
InChIKeyPBJJWQFUKHMUQV-FOCLMDBBSA-N
XLogP5.02
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.43
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-(2-phenylphenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 7929957
(E)-N-(4-acetamidophenyl)-3-(2,3-dimethoxyphenyl)prop-2-enamide
CID 7945153
N'-[3-(2,3-dimethoxyphenyl)prop-2-enoyl]benzohydrazide
CID 4789480
(E)-3-(2,3-dimethoxyphenyl)-N',N'-dimethylprop-2-enehydrazide
CID 9163798
(E)-3-(2,3-dimethoxyphenyl)-N-(4-iodophenyl)prop-2-enamide
CID 2677492
(E)-N-[4-(carbamoylamino)phenyl]-3-(2,3-dimethoxyphenyl)prop-2-enamide
CID 46518654
(E)-3-(2-methoxy-3-phenylphenyl)prop-2-enoic acid
CID 170872372
(E)-N-(4-bromo-2-fluorophenyl)-3-(2,3-dimethoxyphenyl)prop-2-enamide
CID 2111077
(E)-N-(2-chlorophenyl)-3-(3-methoxy-2-phenylmethoxyphenyl)prop-2-enamide
CID 51057801
(E)-3-(2,3-dimethoxyphenyl)-N-(3-iodophenyl)prop-2-enamide
CID 7928435
(E)-N-(3-chlorophenyl)-3-(2,3-dimethoxyphenyl)prop-2-enamide
CID 2665177
(E)-N-(2-bromophenyl)-3-(2-methoxyphenyl)prop-2-enamide
CID 734257

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2,3-dimethoxyphenyl)-N-(2-phenylphenyl)prop-2-enamide?
The IUPAC name of (E)-3-(2,3-dimethoxyphenyl)-N-(2-phenylphenyl)prop-2-enamide (CID 2431859) is (E)-3-(2,3-dimethoxyphenyl)-N-(2-phenylphenyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(2,3-dimethoxyphenyl)-N-(2-phenylphenyl)prop-2-enamide?
The canonical SMILES for (E)-3-(2,3-dimethoxyphenyl)-N-(2-phenylphenyl)prop-2-enamide is COc1cccc(/C=C/C(=O)Nc2ccccc2-c2ccccc2)c1OC.
What is the InChIKey of (E)-3-(2,3-dimethoxyphenyl)-N-(2-phenylphenyl)prop-2-enamide?
The InChIKey is PBJJWQFUKHMUQV-FOCLMDBBSA-N. The full InChI is InChI=1S/C23H21NO3/c1-26-21-14-8-11-18(23(21)27-2)15-16-22(25)24-20-13-7-6-12-19(20)17-9-4-3-5-10-17/h3-16H,1-2H3,(H,24,25)/b16-15+.
What are the key properties of (E)-3-(2,3-dimethoxyphenyl)-N-(2-phenylphenyl)prop-2-enamide?
(E)-3-(2,3-dimethoxyphenyl)-N-(2-phenylphenyl)prop-2-enamide has a molecular weight of 359.43 g/mol, XLogP of 5.02, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2,3-dimethoxyphenyl)-N-(2-phenylphenyl)prop-2-enamide is sourced from PubChem (CID 2431859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).