(Z)-4-(2-methoxyphenyl)-N,3-dimethyl-N-(2-pyridin-2-ylethyl)but-2-enamide

C20H24N2O2 — CID 98289260

IUPAC(Z)-4-(2-methoxyphenyl)-N,3-dimethyl-N-(2-pyridin-2-ylethyl)but-2-enamide
SMILESCOc1ccccc1C/C(C)=C\C(=O)N(C)CCc1ccccn1
InChIInChI=1S/C20H24N2O2/c1-16(14-17-8-4-5-10-19(17)24-3)15-20(23)22(2)13-11-18-9-6-7-12-21-18/h4-10,12,15H,11,13-14H2,1-3H3/b16-15-
InChIKeyWNZJUINOSIAYCB-NXVVXOECSA-N
MW324.42 g/mol
LogP3.28
Rot. Bonds7

About (Z)-4-(2-methoxyphenyl)-N,3-dimethyl-N-(2-pyridin-2-ylethyl)but-2-enamide

(Z)-4-(2-methoxyphenyl)-N,3-dimethyl-N-(2-pyridin-2-ylethyl)but-2-enamide (PubChem CID 98289260) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is (Z)-4-(2-methoxyphenyl)-N,3-dimethyl-N-(2-pyridin-2-ylethyl)but-2-enamide.

Molecular Properties

Compound Name(Z)-4-(2-methoxyphenyl)-N,3-dimethyl-N-(2-pyridin-2-ylethyl)but-2-enamide
PubChem CID98289260
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC Name(Z)-4-(2-methoxyphenyl)-N,3-dimethyl-N-(2-pyridin-2-ylethyl)but-2-enamide
SMILESCOc1ccccc1C/C(C)=C\C(=O)N(C)CCc1ccccn1
InChIInChI=1S/C20H24N2O2/c1-16(14-17-8-4-5-10-19(17)24-3)15-20(23)22(2)13-11-18-9-6-7-12-21-18/h4-10,12,15H,11,13-14H2,1-3H3/b16-15-
InChIKeyWNZJUINOSIAYCB-NXVVXOECSA-N
XLogP3.28
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(2-methoxyphenyl)-1-methyl-1-(2-pyridin-2-ylethyl)urea
CID 16612937
ethane;N-methyl-N-(2-pyridin-2-ylethyl)acetamide
CID 143678158
2-(2-methoxyphenoxy)-N-methyl-N-(2-pyridin-2-ylethyl)acetamide;phosphoric acid
CID 134110040
(Z)-4-(2-methoxyphenyl)-3-methylbut-2-enoic acid
CID 97301486
4-methoxy-3-[[methyl(2-pyridin-2-ylethyl)amino]methyl]aniline
CID 43247155
(3R)-1-[(2-methoxyphenyl)methyl]-N-methyl-6-oxo-N-(2-pyridin-2-ylethyl)piperidine-3-carboxamide
CID 26404499
2-bromo-N,2-dimethyl-N-(2-pyridin-2-ylethyl)propanamide
CID 116816951
2-[methyl(2-pyridin-2-ylethyl)amino]-2-oxoacetic acid
CID 43445021
3-(2,6-diethylphenyl)-1-methyl-1-(2-pyridin-2-ylethyl)urea
CID 86987284
N-methyl-N-(2-pyridin-2-ylethyl)prop-1-en-2-amine
CID 178172839
methyl 2-[methyl(2-pyridin-2-ylethyl)carbamoyl]butanoate
CID 115187986
3,4-dichloro-N-[(2-methoxyphenyl)methyl]-N-(2-pyridin-2-ylethyl)benzamide
CID 42695992

Frequently Asked Questions

What is the IUPAC name of (Z)-4-(2-methoxyphenyl)-N,3-dimethyl-N-(2-pyridin-2-ylethyl)but-2-enamide?
The IUPAC name of (Z)-4-(2-methoxyphenyl)-N,3-dimethyl-N-(2-pyridin-2-ylethyl)but-2-enamide (CID 98289260) is (Z)-4-(2-methoxyphenyl)-N,3-dimethyl-N-(2-pyridin-2-ylethyl)but-2-enamide.
What is the SMILES notation for (Z)-4-(2-methoxyphenyl)-N,3-dimethyl-N-(2-pyridin-2-ylethyl)but-2-enamide?
The canonical SMILES for (Z)-4-(2-methoxyphenyl)-N,3-dimethyl-N-(2-pyridin-2-ylethyl)but-2-enamide is COc1ccccc1C/C(C)=C\C(=O)N(C)CCc1ccccn1.
What is the InChIKey of (Z)-4-(2-methoxyphenyl)-N,3-dimethyl-N-(2-pyridin-2-ylethyl)but-2-enamide?
The InChIKey is WNZJUINOSIAYCB-NXVVXOECSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-16(14-17-8-4-5-10-19(17)24-3)15-20(23)22(2)13-11-18-9-6-7-12-21-18/h4-10,12,15H,11,13-14H2,1-3H3/b16-15-.
What are the key properties of (Z)-4-(2-methoxyphenyl)-N,3-dimethyl-N-(2-pyridin-2-ylethyl)but-2-enamide?
(Z)-4-(2-methoxyphenyl)-N,3-dimethyl-N-(2-pyridin-2-ylethyl)but-2-enamide has a molecular weight of 324.42 g/mol, XLogP of 3.28, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-(2-methoxyphenyl)-N,3-dimethyl-N-(2-pyridin-2-ylethyl)but-2-enamide is sourced from PubChem (CID 98289260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).