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

C18H20N2O4 — CID 9417538

IUPACN-[2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]-2-oxoethyl]furan-2-carboxamide
SMILESC=CCOc1ccc(CN(C)C(=O)CNC(=O)c2ccco2)cc1
InChIInChI=1S/C18H20N2O4/c1-3-10-23-15-8-6-14(7-9-15)13-20(2)17(21)12-19-18(22)16-5-4-11-24-16/h3-9,11H,1,10,12-13H2,2H3,(H,19,22)
InChIKeyOOXSUNZWFSJUNU-UHFFFAOYSA-N
MW328.37 g/mol
LogP2.23
Rot. Bonds8

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

N-[2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]-2-oxoethyl]furan-2-carboxamide (PubChem CID 9417538) has the molecular formula C18H20N2O4 and a molecular weight of 328.37 g/mol. Its IUPAC name is N-[2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]-2-oxoethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]-2-oxoethyl]furan-2-carboxamide
PubChem CID9417538
Molecular FormulaC18H20N2O4
Molecular Weight328.37 g/mol
Exact Mass328.14
IUPAC NameN-[2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]-2-oxoethyl]furan-2-carboxamide
SMILESC=CCOc1ccc(CN(C)C(=O)CNC(=O)c2ccco2)cc1
InChIInChI=1S/C18H20N2O4/c1-3-10-23-15-8-6-14(7-9-15)13-20(2)17(21)12-19-18(22)16-5-4-11-24-16/h3-9,11H,1,10,12-13H2,2H3,(H,19,22)
InChIKeyOOXSUNZWFSJUNU-UHFFFAOYSA-N
XLogP2.23
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 52.23
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

2-methyl-N-[2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]-2-oxoethyl]furan-3-carboxamide
CID 51085765
N-[2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]-2-oxoethyl]-4-(trifluoromethyl)benzamide
CID 9417539
2,4-dichloro-N-[2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]-2-oxoethyl]benzamide
CID 9417489
N-[2-[[2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-2-oxoethyl]amino]-2-oxoethyl]furan-2-carboxamide
CID 9162495
3-amino-N-methyl-N-[(4-prop-2-enoxyphenyl)methyl]propanamide
CID 54868947
3-(dimethylsulfamoyl)-N-[2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]-2-oxoethyl]benzamide
CID 24544811
[2-[(4-ethoxyphenyl)methyl-methylamino]-2-oxoethyl] 3-(furan-2-carbonylamino)propanoate
CID 7909197
N-[2-oxo-2-[4-[(4-prop-2-enoxyphenyl)methyl]piperazin-1-yl]ethyl]furan-2-carboxamide
CID 6736612
2-ethoxy-N-methyl-N-[(4-prop-2-enoxyphenyl)methyl]acetamide
CID 60636038
N-[(2S)-1-[(4-ethoxyphenyl)methyl-methylamino]-1-oxopropan-2-yl]furan-2-carboxamide
CID 7831628
2-hydroxy-N-methyl-N-[(4-prop-2-enoxyphenyl)methyl]benzamide
CID 31180128
N-[2-[(4-ethoxyphenyl)methyl-methylamino]-2-oxoethyl]-2-methylbenzamide
CID 51161257

Frequently Asked Questions

What is the IUPAC name of N-[2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]-2-oxoethyl]furan-2-carboxamide?
The IUPAC name of N-[2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]-2-oxoethyl]furan-2-carboxamide (CID 9417538) is N-[2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]-2-oxoethyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]-2-oxoethyl]furan-2-carboxamide?
The canonical SMILES for N-[2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]-2-oxoethyl]furan-2-carboxamide is C=CCOc1ccc(CN(C)C(=O)CNC(=O)c2ccco2)cc1.
What is the InChIKey of N-[2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]-2-oxoethyl]furan-2-carboxamide?
The InChIKey is OOXSUNZWFSJUNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4/c1-3-10-23-15-8-6-14(7-9-15)13-20(2)17(21)12-19-18(22)16-5-4-11-24-16/h3-9,11H,1,10,12-13H2,2H3,(H,19,22).
What are the key properties of N-[2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]-2-oxoethyl]furan-2-carboxamide?
N-[2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]-2-oxoethyl]furan-2-carboxamide has a molecular weight of 328.37 g/mol, XLogP of 2.23, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]-2-oxoethyl]furan-2-carboxamide is sourced from PubChem (CID 9417538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).