N-(2,6-dimethylphenyl)-3-(4-phenylmethoxyphenyl)prop-2-enamide

C24H23NO2 — CID 3591319

IUPACN-(2,6-dimethylphenyl)-3-(4-phenylmethoxyphenyl)prop-2-enamide
SMILESCc1cccc(C)c1NC(=O)C=Cc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C24H23NO2/c1-18-7-6-8-19(2)24(18)25-23(26)16-13-20-11-14-22(15-12-20)27-17-21-9-4-3-5-10-21/h3-16H,17H2,1-2H3,(H,25,26)
InChIKeyPOXGFBZANKQANK-UHFFFAOYSA-N
MW357.45 g/mol
LogP5.53
Rot. Bonds6

About N-(2,6-dimethylphenyl)-3-(4-phenylmethoxyphenyl)prop-2-enamide

N-(2,6-dimethylphenyl)-3-(4-phenylmethoxyphenyl)prop-2-enamide (PubChem CID 3591319) has the molecular formula C24H23NO2 and a molecular weight of 357.45 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-3-(4-phenylmethoxyphenyl)prop-2-enamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-3-(4-phenylmethoxyphenyl)prop-2-enamide
PubChem CID3591319
Molecular FormulaC24H23NO2
Molecular Weight357.45 g/mol
Exact Mass357.17
IUPAC NameN-(2,6-dimethylphenyl)-3-(4-phenylmethoxyphenyl)prop-2-enamide
SMILESCc1cccc(C)c1NC(=O)C=Cc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C24H23NO2/c1-18-7-6-8-19(2)24(18)25-23(26)16-13-20-11-14-22(15-12-20)27-17-21-9-4-3-5-10-21/h3-16H,17H2,1-2H3,(H,25,26)
InChIKeyPOXGFBZANKQANK-UHFFFAOYSA-N
XLogP5.53
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.45
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-(2,6-dimethylphenyl)-3-(3-methoxy-4-phenylmethoxyphenyl)prop-2-enamide
CID 1188946
(E)-N-(3-bromo-2-methylphenyl)-3-(4-phenylmethoxyphenyl)prop-2-enamide
CID 6260873
(E)-N-(4,5-dimethoxy-2-methylphenyl)-3-(4-phenylmethoxyphenyl)prop-2-enamide
CID 29194971
N-(4-ethylphenyl)-3-(4-phenylmethoxyphenyl)prop-2-enamide
CID 3591323
N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-(4-phenylmethoxyphenyl)prop-2-enamide
CID 1191389
(E)-N-(2-amino-4-methylphenyl)-3-(4-phenylmethoxyphenyl)prop-2-enamide
CID 28867674
(1E,4E)-1,5-bis(4-phenylmethoxyphenyl)penta-1,4-dien-3-one
CID 6475153
N-(2,6-dimethylphenyl)-N'-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]oxamide
CID 6176038
4-methyl-N'-[(E)-3-(4-phenylmethoxyphenyl)prop-2-enoyl]benzohydrazide
CID 22831284
(E)-N-[2-(4-methylphenoxy)ethyl]-3-(4-phenylmethoxyphenyl)prop-2-enamide
CID 19175905
(E)-3-[4-(difluoromethoxy)phenyl]-N-(2,6-dimethylphenyl)prop-2-enamide
CID 8502468
3-(4-methylphenyl)-N-[(4-phenylmethoxyphenyl)carbamothioyl]prop-2-enamide
CID 4947645

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-3-(4-phenylmethoxyphenyl)prop-2-enamide?
The IUPAC name of N-(2,6-dimethylphenyl)-3-(4-phenylmethoxyphenyl)prop-2-enamide (CID 3591319) is N-(2,6-dimethylphenyl)-3-(4-phenylmethoxyphenyl)prop-2-enamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-3-(4-phenylmethoxyphenyl)prop-2-enamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-3-(4-phenylmethoxyphenyl)prop-2-enamide is Cc1cccc(C)c1NC(=O)C=Cc1ccc(OCc2ccccc2)cc1.
What is the InChIKey of N-(2,6-dimethylphenyl)-3-(4-phenylmethoxyphenyl)prop-2-enamide?
The InChIKey is POXGFBZANKQANK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NO2/c1-18-7-6-8-19(2)24(18)25-23(26)16-13-20-11-14-22(15-12-20)27-17-21-9-4-3-5-10-21/h3-16H,17H2,1-2H3,(H,25,26).
What are the key properties of N-(2,6-dimethylphenyl)-3-(4-phenylmethoxyphenyl)prop-2-enamide?
N-(2,6-dimethylphenyl)-3-(4-phenylmethoxyphenyl)prop-2-enamide has a molecular weight of 357.45 g/mol, XLogP of 5.53, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-3-(4-phenylmethoxyphenyl)prop-2-enamide is sourced from PubChem (CID 3591319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).