(E)-3-(3-methoxy-4-prop-2-ynoxyphenyl)-N-(2-methylphenyl)prop-2-enamide

C20H19NO3 — CID 135290044

IUPAC(E)-3-(3-methoxy-4-prop-2-ynoxyphenyl)-N-(2-methylphenyl)prop-2-enamide
SMILESC#CCOc1ccc(/C=C/C(=O)Nc2ccccc2C)cc1OC
InChIInChI=1S/C20H19NO3/c1-4-13-24-18-11-9-16(14-19(18)23-3)10-12-20(22)21-17-8-6-5-7-15(17)2/h1,5-12,14H,13H2,2-3H3,(H,21,22)/b12-10+
InChIKeyFHWBIXKPBYDDRA-ZRDIBKRKSA-N
MW321.38 g/mol
LogP3.67
Rot. Bonds6

About (E)-3-(3-methoxy-4-prop-2-ynoxyphenyl)-N-(2-methylphenyl)prop-2-enamide

(E)-3-(3-methoxy-4-prop-2-ynoxyphenyl)-N-(2-methylphenyl)prop-2-enamide (PubChem CID 135290044) has the molecular formula C20H19NO3 and a molecular weight of 321.38 g/mol. Its IUPAC name is (E)-3-(3-methoxy-4-prop-2-ynoxyphenyl)-N-(2-methylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(3-methoxy-4-prop-2-ynoxyphenyl)-N-(2-methylphenyl)prop-2-enamide
PubChem CID135290044
Molecular FormulaC20H19NO3
Molecular Weight321.38 g/mol
Exact Mass321.14
IUPAC Name(E)-3-(3-methoxy-4-prop-2-ynoxyphenyl)-N-(2-methylphenyl)prop-2-enamide
SMILESC#CCOc1ccc(/C=C/C(=O)Nc2ccccc2C)cc1OC
InChIInChI=1S/C20H19NO3/c1-4-13-24-18-11-9-16(14-19(18)23-3)10-12-20(22)21-17-8-6-5-7-15(17)2/h1,5-12,14H,13H2,2-3H3,(H,21,22)/b12-10+
InChIKeyFHWBIXKPBYDDRA-ZRDIBKRKSA-N
XLogP3.67
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methoxyethyl)-2-[[(E)-3-(3-methoxy-4-prop-2-ynoxyphenyl)prop-2-enoyl]amino]benzamide
CID 135289953
2-[3-(3-methoxy-4-prop-2-ynoxyphenyl)prop-2-enoylamino]-N-piperidin-4-ylbenzamide
CID 146373898
2-[3-(3-methoxy-4-prop-2-ynoxyphenyl)prop-2-enoylamino]-N-(oxetan-3-yl)benzamide
CID 146373903
(E)-N-(2-bromophenyl)-3-[4-(cyanomethoxy)-3-methoxyphenyl]prop-2-enamide
CID 26536920
N-(2-chlorophenyl)-3-(4-ethoxy-3-methoxyphenyl)prop-2-enamide
CID 5073679
2-[3-(3,4-dimethoxyphenyl)prop-2-enoylamino]-N-prop-2-ynylbenzamide
CID 74334393
(E)-3-[4-(cyanomethoxy)-3-methoxyphenyl]-N-(2,3-dichlorophenyl)prop-2-enamide
CID 26694298
(E)-3-[4-(cyanomethoxy)-3-methoxyphenyl]-N-(2-propan-2-ylphenyl)prop-2-enamide
CID 7959290
3-(3,4-diethoxyphenyl)-N-(2-methoxyphenyl)prop-2-enamide
CID 732806
(E)-3-[4-(cyanomethoxy)-3-methoxyphenyl]-N-(2-hydroxy-4-methylphenyl)prop-2-enamide
CID 9495594
3-(3,4-dimethoxyphenyl)-N-[2-[hydroxy-(prop-2-ynylamino)methyl]phenyl]prop-2-enamide
CID 123922877
(E)-3-[4-(cyanomethoxy)-3-methoxyphenyl]-N-(2-phenylsulfanylphenyl)prop-2-enamide
CID 55493412

Frequently Asked Questions

What is the IUPAC name of (E)-3-(3-methoxy-4-prop-2-ynoxyphenyl)-N-(2-methylphenyl)prop-2-enamide?
The IUPAC name of (E)-3-(3-methoxy-4-prop-2-ynoxyphenyl)-N-(2-methylphenyl)prop-2-enamide (CID 135290044) is (E)-3-(3-methoxy-4-prop-2-ynoxyphenyl)-N-(2-methylphenyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(3-methoxy-4-prop-2-ynoxyphenyl)-N-(2-methylphenyl)prop-2-enamide?
The canonical SMILES for (E)-3-(3-methoxy-4-prop-2-ynoxyphenyl)-N-(2-methylphenyl)prop-2-enamide is C#CCOc1ccc(/C=C/C(=O)Nc2ccccc2C)cc1OC.
What is the InChIKey of (E)-3-(3-methoxy-4-prop-2-ynoxyphenyl)-N-(2-methylphenyl)prop-2-enamide?
The InChIKey is FHWBIXKPBYDDRA-ZRDIBKRKSA-N. The full InChI is InChI=1S/C20H19NO3/c1-4-13-24-18-11-9-16(14-19(18)23-3)10-12-20(22)21-17-8-6-5-7-15(17)2/h1,5-12,14H,13H2,2-3H3,(H,21,22)/b12-10+.
What are the key properties of (E)-3-(3-methoxy-4-prop-2-ynoxyphenyl)-N-(2-methylphenyl)prop-2-enamide?
(E)-3-(3-methoxy-4-prop-2-ynoxyphenyl)-N-(2-methylphenyl)prop-2-enamide has a molecular weight of 321.38 g/mol, XLogP of 3.67, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3-methoxy-4-prop-2-ynoxyphenyl)-N-(2-methylphenyl)prop-2-enamide is sourced from PubChem (CID 135290044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).