2-methyl-N-[2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]-2-oxoethyl]furan-3-carboxamide

C19H22N2O4 — CID 51085765

IUPAC2-methyl-N-[2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]-2-oxoethyl]furan-3-carboxamide
SMILESC=CCOc1ccc(CN(C)C(=O)CNC(=O)c2ccoc2C)cc1
InChIInChI=1S/C19H22N2O4/c1-4-10-25-16-7-5-15(6-8-16)13-21(3)18(22)12-20-19(23)17-9-11-24-14(17)2/h4-9,11H,1,10,12-13H2,2-3H3,(H,20,23)
InChIKeyJVOUMGDGWDXBAB-UHFFFAOYSA-N
MW342.40 g/mol
LogP2.54
Rot. Bonds8

About 2-methyl-N-[2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]-2-oxoethyl]furan-3-carboxamide

2-methyl-N-[2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]-2-oxoethyl]furan-3-carboxamide (PubChem CID 51085765) has the molecular formula C19H22N2O4 and a molecular weight of 342.40 g/mol. Its IUPAC name is 2-methyl-N-[2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]-2-oxoethyl]furan-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]-2-oxoethyl]furan-3-carboxamide
PubChem CID51085765
Molecular FormulaC19H22N2O4
Molecular Weight342.40 g/mol
Exact Mass342.16
IUPAC Name2-methyl-N-[2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]-2-oxoethyl]furan-3-carboxamide
SMILESC=CCOc1ccc(CN(C)C(=O)CNC(=O)c2ccoc2C)cc1
InChIInChI=1S/C19H22N2O4/c1-4-10-25-16-7-5-15(6-8-16)13-21(3)18(22)12-20-19(23)17-9-11-24-14(17)2/h4-9,11H,1,10,12-13H2,2-3H3,(H,20,23)
InChIKeyJVOUMGDGWDXBAB-UHFFFAOYSA-N
XLogP2.54
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]-2-oxoethyl]furan-2-carboxamide
CID 9417538
2,4-dichloro-N-[2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]-2-oxoethyl]benzamide
CID 9417489
N-[2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]-2-oxoethyl]-4-(trifluoromethyl)benzamide
CID 9417539
N-[2-[(4-ethoxyphenyl)methyl-methylamino]-2-oxoethyl]-2-methylbenzamide
CID 51161257
3-(dimethylsulfamoyl)-N-[2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]-2-oxoethyl]benzamide
CID 24544811
3-amino-N-methyl-N-[(4-prop-2-enoxyphenyl)methyl]propanamide
CID 54868947
2-ethoxy-N-methyl-N-[(4-prop-2-enoxyphenyl)methyl]acetamide
CID 60636038
N-[2-[(4-ethoxyphenyl)methyl-methylamino]-2-oxoethyl]-4-methylbenzamide
CID 24546571
2-hydroxy-N-methyl-N-[(4-prop-2-enoxyphenyl)methyl]benzamide
CID 31180128
2,4-dichloro-N-[2-[(4-ethoxyphenyl)methyl-methylamino]-2-oxoethyl]benzamide
CID 24546574
4-ethoxy-N-[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl]benzamide
CID 51162813
ethyl N-[2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]acetyl]carbamate
CID 9167602

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]-2-oxoethyl]furan-3-carboxamide?
The IUPAC name of 2-methyl-N-[2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]-2-oxoethyl]furan-3-carboxamide (CID 51085765) is 2-methyl-N-[2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]-2-oxoethyl]furan-3-carboxamide.
What is the SMILES notation for 2-methyl-N-[2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]-2-oxoethyl]furan-3-carboxamide?
The canonical SMILES for 2-methyl-N-[2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]-2-oxoethyl]furan-3-carboxamide is C=CCOc1ccc(CN(C)C(=O)CNC(=O)c2ccoc2C)cc1.
What is the InChIKey of 2-methyl-N-[2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]-2-oxoethyl]furan-3-carboxamide?
The InChIKey is JVOUMGDGWDXBAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4/c1-4-10-25-16-7-5-15(6-8-16)13-21(3)18(22)12-20-19(23)17-9-11-24-14(17)2/h4-9,11H,1,10,12-13H2,2-3H3,(H,20,23).
What are the key properties of 2-methyl-N-[2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]-2-oxoethyl]furan-3-carboxamide?
2-methyl-N-[2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]-2-oxoethyl]furan-3-carboxamide has a molecular weight of 342.40 g/mol, XLogP of 2.54, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]-2-oxoethyl]furan-3-carboxamide is sourced from PubChem (CID 51085765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).