N-[1-(3,4-dimethoxyphenyl)-3-(dimethylamino)-3-oxoprop-1-en-2-yl]furan-2-carboxamide

C18H20N2O5 — CID 3926745

IUPACN-[1-(3,4-dimethoxyphenyl)-3-(dimethylamino)-3-oxoprop-1-en-2-yl]furan-2-carboxamide
SMILESCOc1ccc(C=C(NC(=O)c2ccco2)C(=O)N(C)C)cc1OC
InChIInChI=1S/C18H20N2O5/c1-20(2)18(22)13(19-17(21)15-6-5-9-25-15)10-12-7-8-14(23-3)16(11-12)24-4/h5-11H,1-4H3,(H,19,21)
InChIKeyAWCCJLYFABDEEC-UHFFFAOYSA-N
MW344.37 g/mol
LogP2.16
Rot. Bonds6

About N-[1-(3,4-dimethoxyphenyl)-3-(dimethylamino)-3-oxoprop-1-en-2-yl]furan-2-carboxamide

N-[1-(3,4-dimethoxyphenyl)-3-(dimethylamino)-3-oxoprop-1-en-2-yl]furan-2-carboxamide (PubChem CID 3926745) has the molecular formula C18H20N2O5 and a molecular weight of 344.37 g/mol. Its IUPAC name is N-[1-(3,4-dimethoxyphenyl)-3-(dimethylamino)-3-oxoprop-1-en-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[1-(3,4-dimethoxyphenyl)-3-(dimethylamino)-3-oxoprop-1-en-2-yl]furan-2-carboxamide
PubChem CID3926745
Molecular FormulaC18H20N2O5
Molecular Weight344.37 g/mol
Exact Mass344.14
IUPAC NameN-[1-(3,4-dimethoxyphenyl)-3-(dimethylamino)-3-oxoprop-1-en-2-yl]furan-2-carboxamide
SMILESCOc1ccc(C=C(NC(=O)c2ccco2)C(=O)N(C)C)cc1OC
InChIInChI=1S/C18H20N2O5/c1-20(2)18(22)13(19-17(21)15-6-5-9-25-15)10-12-7-8-14(23-3)16(11-12)24-4/h5-11H,1-4H3,(H,19,21)
InChIKeyAWCCJLYFABDEEC-UHFFFAOYSA-N
XLogP2.16
TPSA81.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(E)-3-(azepan-1-yl)-1-(3,4-dimethoxyphenyl)-3-oxoprop-1-en-2-yl]furan-2-carboxamide
CID 1096231
N-[3-(2,3-dihydroindol-1-yl)-1-(3,4-dimethoxyphenyl)-3-oxoprop-1-en-2-yl]furan-2-carboxamide
CID 4242051
methyl (Z)-2-(furan-2-carbonylamino)-3-(4-methoxyphenyl)prop-2-enoate
CID 2180781
(E)-3-(3,4-dimethoxyphenyl)-2-(furan-2-carbonyl)prop-2-enenitrile
CID 9335407
N-[(Z)-3-amino-1-(1,3-benzodioxol-5-yl)-3-oxoprop-1-en-2-yl]furan-2-carboxamide
CID 5405356
N-[(E)-3-(4-methoxyanilino)-1-(4-methoxyphenyl)-3-oxoprop-1-en-2-yl]furan-2-carboxamide
CID 5338409
methyl (Z)-2-(furan-2-carbonylamino)but-2-enoate
CID 102388440
1-(3,4-dimethoxyphenyl)-3-(furan-2-carbonylamino)urea
CID 971429
N-[1-(4-methoxyphenyl)-3-morpholin-4-yl-3-oxoprop-1-en-2-yl]furan-2-carboxamide
CID 2839706
N-[1-(3,4-dimethoxyphenyl)ethylideneamino]furan-2-carboxamide
CID 760187
methyl (E)-2-(furan-2-carbonylamino)-3-(3-nitrophenyl)prop-2-enoate
CID 5415762
methyl 2-(furan-2-carbonylamino)-3-(3-nitrophenyl)prop-2-enoate
CID 887235

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-dimethoxyphenyl)-3-(dimethylamino)-3-oxoprop-1-en-2-yl]furan-2-carboxamide?
The IUPAC name of N-[1-(3,4-dimethoxyphenyl)-3-(dimethylamino)-3-oxoprop-1-en-2-yl]furan-2-carboxamide (CID 3926745) is N-[1-(3,4-dimethoxyphenyl)-3-(dimethylamino)-3-oxoprop-1-en-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[1-(3,4-dimethoxyphenyl)-3-(dimethylamino)-3-oxoprop-1-en-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[1-(3,4-dimethoxyphenyl)-3-(dimethylamino)-3-oxoprop-1-en-2-yl]furan-2-carboxamide is COc1ccc(C=C(NC(=O)c2ccco2)C(=O)N(C)C)cc1OC.
What is the InChIKey of N-[1-(3,4-dimethoxyphenyl)-3-(dimethylamino)-3-oxoprop-1-en-2-yl]furan-2-carboxamide?
The InChIKey is AWCCJLYFABDEEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O5/c1-20(2)18(22)13(19-17(21)15-6-5-9-25-15)10-12-7-8-14(23-3)16(11-12)24-4/h5-11H,1-4H3,(H,19,21).
What are the key properties of N-[1-(3,4-dimethoxyphenyl)-3-(dimethylamino)-3-oxoprop-1-en-2-yl]furan-2-carboxamide?
N-[1-(3,4-dimethoxyphenyl)-3-(dimethylamino)-3-oxoprop-1-en-2-yl]furan-2-carboxamide has a molecular weight of 344.37 g/mol, XLogP of 2.16, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-dimethoxyphenyl)-3-(dimethylamino)-3-oxoprop-1-en-2-yl]furan-2-carboxamide is sourced from PubChem (CID 3926745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).