N-[2-(furan-2-yl)ethyl]-3,4-dimethoxy-5-prop-2-enylbenzamide

C18H21NO4 — CID 18111345

IUPACN-[2-(furan-2-yl)ethyl]-3,4-dimethoxy-5-prop-2-enylbenzamide
SMILESC=CCc1cc(C(=O)NCCc2ccco2)cc(OC)c1OC
InChIInChI=1S/C18H21NO4/c1-4-6-13-11-14(12-16(21-2)17(13)22-3)18(20)19-9-8-15-7-5-10-23-15/h4-5,7,10-12H,1,6,8-9H2,2-3H3,(H,19,20)
InChIKeyREYFOOUXVODQJK-UHFFFAOYSA-N
MW315.37 g/mol
LogP3.00
Rot. Bonds8

About N-[2-(furan-2-yl)ethyl]-3,4-dimethoxy-5-prop-2-enylbenzamide

N-[2-(furan-2-yl)ethyl]-3,4-dimethoxy-5-prop-2-enylbenzamide (PubChem CID 18111345) has the molecular formula C18H21NO4 and a molecular weight of 315.37 g/mol. Its IUPAC name is N-[2-(furan-2-yl)ethyl]-3,4-dimethoxy-5-prop-2-enylbenzamide.

Molecular Properties

Compound NameN-[2-(furan-2-yl)ethyl]-3,4-dimethoxy-5-prop-2-enylbenzamide
PubChem CID18111345
Molecular FormulaC18H21NO4
Molecular Weight315.37 g/mol
Exact Mass315.15
IUPAC NameN-[2-(furan-2-yl)ethyl]-3,4-dimethoxy-5-prop-2-enylbenzamide
SMILESC=CCc1cc(C(=O)NCCc2ccco2)cc(OC)c1OC
InChIInChI=1S/C18H21NO4/c1-4-6-13-11-14(12-16(21-2)17(13)22-3)18(20)19-9-8-15-7-5-10-23-15/h4-5,7,10-12H,1,6,8-9H2,2-3H3,(H,19,20)
InChIKeyREYFOOUXVODQJK-UHFFFAOYSA-N
XLogP3.00
TPSA60.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 53.00
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

3,4-dimethoxy-N-[2-(4-methoxyphenyl)ethyl]-5-prop-2-enylbenzamide
CID 31850269
3,4-dimethoxy-N-(3-phenylpropyl)-5-prop-2-enylbenzamide
CID 35806874
N-[(3,4-dimethoxy-5-prop-2-enylphenyl)methyl]-3-(furan-2-yl)propanamide
CID 49367800
N-[2-(furan-2-ylmethylsulfanyl)ethyl]-3,4,5-trimethoxybenzamide
CID 8961027
3,4-dimethoxy-N-[4-(methylamino)-4-oxobutyl]-5-prop-2-enylbenzamide
CID 155945725
3,4-dimethoxy-N-(2-methylpropyl)-5-prop-2-enylbenzamide
CID 18106056
N-[3-[4-(dimethylamino)phenyl]propyl]-3,4-dimethoxy-5-prop-2-enylbenzamide
CID 37270693
N-[2-(ethylamino)-2-oxoethyl]-3,4-dimethoxy-5-prop-2-enylbenzamide
CID 18145820
N-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]-3,4-dimethoxy-5-prop-2-enylbenzamide
CID 55464623
N-(2-fluorophenyl)-3,4-dimethoxy-5-prop-2-enylbenzamide
CID 17413361
N-[[2-(diethylaminomethyl)phenyl]methyl]-3,4-dimethoxy-5-prop-2-enylbenzamide
CID 24551115
N-(3-imidazol-1-ylpropyl)-3,4-dimethoxy-5-prop-2-enylbenzamide
CID 51304793

Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-2-yl)ethyl]-3,4-dimethoxy-5-prop-2-enylbenzamide?
The IUPAC name of N-[2-(furan-2-yl)ethyl]-3,4-dimethoxy-5-prop-2-enylbenzamide (CID 18111345) is N-[2-(furan-2-yl)ethyl]-3,4-dimethoxy-5-prop-2-enylbenzamide.
What is the SMILES notation for N-[2-(furan-2-yl)ethyl]-3,4-dimethoxy-5-prop-2-enylbenzamide?
The canonical SMILES for N-[2-(furan-2-yl)ethyl]-3,4-dimethoxy-5-prop-2-enylbenzamide is C=CCc1cc(C(=O)NCCc2ccco2)cc(OC)c1OC.
What is the InChIKey of N-[2-(furan-2-yl)ethyl]-3,4-dimethoxy-5-prop-2-enylbenzamide?
The InChIKey is REYFOOUXVODQJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO4/c1-4-6-13-11-14(12-16(21-2)17(13)22-3)18(20)19-9-8-15-7-5-10-23-15/h4-5,7,10-12H,1,6,8-9H2,2-3H3,(H,19,20).
What are the key properties of N-[2-(furan-2-yl)ethyl]-3,4-dimethoxy-5-prop-2-enylbenzamide?
N-[2-(furan-2-yl)ethyl]-3,4-dimethoxy-5-prop-2-enylbenzamide has a molecular weight of 315.37 g/mol, XLogP of 3.00, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(furan-2-yl)ethyl]-3,4-dimethoxy-5-prop-2-enylbenzamide is sourced from PubChem (CID 18111345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).