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

C25H25NO3 — CID 1188946

IUPAC(E)-N-(2,6-dimethylphenyl)-3-(3-methoxy-4-phenylmethoxyphenyl)prop-2-enamide
SMILESCOc1cc(/C=C/C(=O)Nc2c(C)cccc2C)ccc1OCc1ccccc1
InChIInChI=1S/C25H25NO3/c1-18-8-7-9-19(2)25(18)26-24(27)15-13-20-12-14-22(23(16-20)28-3)29-17-21-10-5-4-6-11-21/h4-16H,17H2,1-3H3,(H,26,27)/b15-13+
InChIKeyFZXRKEBCSLOOMP-FYWRMAATSA-N
MW387.48 g/mol
LogP5.54
Rot. Bonds7

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

(E)-N-(2,6-dimethylphenyl)-3-(3-methoxy-4-phenylmethoxyphenyl)prop-2-enamide (PubChem CID 1188946) has the molecular formula C25H25NO3 and a molecular weight of 387.48 g/mol. Its IUPAC name is (E)-N-(2,6-dimethylphenyl)-3-(3-methoxy-4-phenylmethoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(2,6-dimethylphenyl)-3-(3-methoxy-4-phenylmethoxyphenyl)prop-2-enamide
PubChem CID1188946
Molecular FormulaC25H25NO3
Molecular Weight387.48 g/mol
Exact Mass387.18
IUPAC Name(E)-N-(2,6-dimethylphenyl)-3-(3-methoxy-4-phenylmethoxyphenyl)prop-2-enamide
SMILESCOc1cc(/C=C/C(=O)Nc2c(C)cccc2C)ccc1OCc1ccccc1
InChIInChI=1S/C25H25NO3/c1-18-8-7-9-19(2)25(18)26-24(27)15-13-20-12-14-22(23(16-20)28-3)29-17-21-10-5-4-6-11-21/h4-16H,17H2,1-3H3,(H,26,27)/b15-13+
InChIKeyFZXRKEBCSLOOMP-FYWRMAATSA-N
XLogP5.54
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.48
LogP ≤ 55.54
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)-3-(3-methoxy-4-phenylmethoxyphenyl)-N-(2-methyl-6-nitrophenyl)prop-2-enamide
CID 51058232
N-(2-chloro-4,6-dimethylphenyl)-3-(3-methoxy-4-phenylmethoxyphenyl)prop-2-enamide
CID 4611479
(E)-N-benzyl-3-(3-methoxy-4-phenylmethoxyphenyl)prop-2-enamide
CID 1188981
(E)-N-(4-ethylphenyl)-3-(3-methoxy-4-phenylmethoxyphenyl)prop-2-enamide
CID 1188948
N-(2,6-dimethylphenyl)-3-(4-phenylmethoxyphenyl)prop-2-enamide
CID 3591319
(E)-N-[4-(dimethylamino)phenyl]-3-(3-methoxy-4-phenylmethoxyphenyl)prop-2-enamide
CID 1190683
N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(3-methoxy-4-phenylmethoxyphenyl)prop-2-enamide
CID 1180262
ethyl (Z)-3-(3-methoxy-4-phenylmethoxyphenyl)prop-2-enoate
CID 92840869
3-(4-methoxy-3-phenylmethoxyphenyl)prop-2-enehydrazide
CID 131849552
(E)-N-cyclopentyl-3-(3-methoxy-4-phenylmethoxyphenyl)prop-2-enamide
CID 51058234
(E)-3-[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]prop-2-enoic acid
CID 42314643
(E)-3-(4-butoxy-3-methoxyphenyl)-N-(2-ethyl-6-methylphenyl)prop-2-enamide
CID 26086671

Frequently Asked Questions

What is the IUPAC name of (E)-N-(2,6-dimethylphenyl)-3-(3-methoxy-4-phenylmethoxyphenyl)prop-2-enamide?
The IUPAC name of (E)-N-(2,6-dimethylphenyl)-3-(3-methoxy-4-phenylmethoxyphenyl)prop-2-enamide (CID 1188946) is (E)-N-(2,6-dimethylphenyl)-3-(3-methoxy-4-phenylmethoxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-(2,6-dimethylphenyl)-3-(3-methoxy-4-phenylmethoxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-(2,6-dimethylphenyl)-3-(3-methoxy-4-phenylmethoxyphenyl)prop-2-enamide is COc1cc(/C=C/C(=O)Nc2c(C)cccc2C)ccc1OCc1ccccc1.
What is the InChIKey of (E)-N-(2,6-dimethylphenyl)-3-(3-methoxy-4-phenylmethoxyphenyl)prop-2-enamide?
The InChIKey is FZXRKEBCSLOOMP-FYWRMAATSA-N. The full InChI is InChI=1S/C25H25NO3/c1-18-8-7-9-19(2)25(18)26-24(27)15-13-20-12-14-22(23(16-20)28-3)29-17-21-10-5-4-6-11-21/h4-16H,17H2,1-3H3,(H,26,27)/b15-13+.
What are the key properties of (E)-N-(2,6-dimethylphenyl)-3-(3-methoxy-4-phenylmethoxyphenyl)prop-2-enamide?
(E)-N-(2,6-dimethylphenyl)-3-(3-methoxy-4-phenylmethoxyphenyl)prop-2-enamide has a molecular weight of 387.48 g/mol, XLogP of 5.54, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2,6-dimethylphenyl)-3-(3-methoxy-4-phenylmethoxyphenyl)prop-2-enamide is sourced from PubChem (CID 1188946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).