N-[2-(3,4-dimethoxyphenyl)-3-methylbutyl]furan-2-carboxamide

C18H23NO4 — CID 110314871

IUPACN-[2-(3,4-dimethoxyphenyl)-3-methylbutyl]furan-2-carboxamide
SMILESCOc1ccc(C(CNC(=O)c2ccco2)C(C)C)cc1OC
InChIInChI=1S/C18H23NO4/c1-12(2)14(11-19-18(20)16-6-5-9-23-16)13-7-8-15(21-3)17(10-13)22-4/h5-10,12,14H,11H2,1-4H3,(H,19,20)
InChIKeyYTSCFSIUYAYEMR-UHFFFAOYSA-N
MW317.39 g/mol
LogP3.47
Rot. Bonds7

About N-[2-(3,4-dimethoxyphenyl)-3-methylbutyl]furan-2-carboxamide

N-[2-(3,4-dimethoxyphenyl)-3-methylbutyl]furan-2-carboxamide (PubChem CID 110314871) has the molecular formula C18H23NO4 and a molecular weight of 317.39 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)-3-methylbutyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)-3-methylbutyl]furan-2-carboxamide
PubChem CID110314871
Molecular FormulaC18H23NO4
Molecular Weight317.39 g/mol
Exact Mass317.16
IUPAC NameN-[2-(3,4-dimethoxyphenyl)-3-methylbutyl]furan-2-carboxamide
SMILESCOc1ccc(C(CNC(=O)c2ccco2)C(C)C)cc1OC
InChIInChI=1S/C18H23NO4/c1-12(2)14(11-19-18(20)16-6-5-9-23-16)13-7-8-15(21-3)17(10-13)22-4/h5-10,12,14H,11H2,1-4H3,(H,19,20)
InChIKeyYTSCFSIUYAYEMR-UHFFFAOYSA-N
XLogP3.47
TPSA60.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3,4-dimethoxyphenyl)-3-methylbutyl]-3-(furan-2-yl)propanamide
CID 110312529
N-[2-(3,4-dimethoxyphenyl)-3-methylbutyl]acetamide
CID 110314862
N-[(2-methoxy-4-propan-2-ylphenyl)methyl]furan-2-carboxamide
CID 110782905
(3S)-3-(3,4-dimethoxyphenyl)-3-(furan-2-carbonylamino)propanoate
CID 6943067
N-[(R)-(3,4-dimethoxyphenyl)-(4-ethoxyphenyl)methyl]furan-2-carboxamide
CID 1128199
N-(2-methoxy-5-propan-2-ylphenyl)furan-2-carboxamide
CID 110776781
N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]furan-2-carboxamide
CID 110443382
(2-methoxy-4-propan-2-ylphenyl) furan-2-carboxylate
CID 58189999
N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]furan-2-carboxamide
CID 51262699
3-ethoxy-4-methoxy-N-(3-methyl-2-phenylbutyl)benzamide
CID 46433040
N-[2-(3,4-dimethoxyphenyl)-3-methylbutyl]oxolane-2-carboxamide
CID 110314869
N-[2-(furan-2-yl)-2-hydroxyethyl]-3,4-dimethoxybenzamide
CID 78867802

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)-3-methylbutyl]furan-2-carboxamide?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)-3-methylbutyl]furan-2-carboxamide (CID 110314871) is N-[2-(3,4-dimethoxyphenyl)-3-methylbutyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)-3-methylbutyl]furan-2-carboxamide?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)-3-methylbutyl]furan-2-carboxamide is COc1ccc(C(CNC(=O)c2ccco2)C(C)C)cc1OC.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)-3-methylbutyl]furan-2-carboxamide?
The InChIKey is YTSCFSIUYAYEMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO4/c1-12(2)14(11-19-18(20)16-6-5-9-23-16)13-7-8-15(21-3)17(10-13)22-4/h5-10,12,14H,11H2,1-4H3,(H,19,20).
What are the key properties of N-[2-(3,4-dimethoxyphenyl)-3-methylbutyl]furan-2-carboxamide?
N-[2-(3,4-dimethoxyphenyl)-3-methylbutyl]furan-2-carboxamide has a molecular weight of 317.39 g/mol, XLogP of 3.47, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)-3-methylbutyl]furan-2-carboxamide is sourced from PubChem (CID 110314871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).