2-(furan-2-carbonyl)-N-[1-(2-methoxy-5-methylphenyl)ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide

C25H26N2O4 — CID 55394996

IUPAC2-(furan-2-carbonyl)-N-[1-(2-methoxy-5-methylphenyl)ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide
SMILESCOc1ccc(C)cc1C(C)NC(=O)C1Cc2ccccc2CN1C(=O)c1ccco1
InChIInChI=1S/C25H26N2O4/c1-16-10-11-22(30-3)20(13-16)17(2)26-24(28)21-14-18-7-4-5-8-19(18)15-27(21)25(29)23-9-6-12-31-23/h4-13,17,21H,14-15H2,1-3H3,(H,26,28)
InChIKeyRIEUHAWGXNKHCE-UHFFFAOYSA-N
MW418.49 g/mol
LogP4.04
Rot. Bonds5

About 2-(furan-2-carbonyl)-N-[1-(2-methoxy-5-methylphenyl)ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide

2-(furan-2-carbonyl)-N-[1-(2-methoxy-5-methylphenyl)ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide (PubChem CID 55394996) has the molecular formula C25H26N2O4 and a molecular weight of 418.49 g/mol. Its IUPAC name is 2-(furan-2-carbonyl)-N-[1-(2-methoxy-5-methylphenyl)ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide.

Molecular Properties

Compound Name2-(furan-2-carbonyl)-N-[1-(2-methoxy-5-methylphenyl)ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide
PubChem CID55394996
Molecular FormulaC25H26N2O4
Molecular Weight418.49 g/mol
Exact Mass418.19
IUPAC Name2-(furan-2-carbonyl)-N-[1-(2-methoxy-5-methylphenyl)ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide
SMILESCOc1ccc(C)cc1C(C)NC(=O)C1Cc2ccccc2CN1C(=O)c1ccco1
InChIInChI=1S/C25H26N2O4/c1-16-10-11-22(30-3)20(13-16)17(2)26-24(28)21-14-18-7-4-5-8-19(18)15-27(21)25(29)23-9-6-12-31-23/h4-13,17,21H,14-15H2,1-3H3,(H,26,28)
InChIKeyRIEUHAWGXNKHCE-UHFFFAOYSA-N
XLogP4.04
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.49
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(2,4-difluorophenyl)ethyl]-2-(furan-2-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 112763710
(3R)-2-(furan-2-carbonyl)-N-(3,4,5-trimethoxyphenyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 2161832
N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-2-(furan-2-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 55396394
2-(furan-2-carbonyl)-N-[(2,4,5-trimethoxyphenyl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 46552086
(3R)-N-benzhydryl-2-(furan-2-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 41114850
N-[1-[4-(carbamoylamino)phenyl]ethyl]-2-(furan-2-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 55700080
N'-[2-(2,5-dimethylphenoxy)acetyl]-2-(furan-2-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carbohydrazide
CID 55333265
2-(furan-2-carbonyl)-N-[1-[3-(methylsulfamoyl)phenyl]ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 154834635
2-(furan-2-carbonyl)-N-(3-hydroxybutyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 111433428
[2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2-(furan-2-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxylate
CID 3877621
2-(furan-2-carbonyl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 112760830
N-(2-amino-1-cyclopropylethyl)-2-(furan-2-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide;hydrochloride
CID 119616217

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-carbonyl)-N-[1-(2-methoxy-5-methylphenyl)ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide?
The IUPAC name of 2-(furan-2-carbonyl)-N-[1-(2-methoxy-5-methylphenyl)ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide (CID 55394996) is 2-(furan-2-carbonyl)-N-[1-(2-methoxy-5-methylphenyl)ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide.
What is the SMILES notation for 2-(furan-2-carbonyl)-N-[1-(2-methoxy-5-methylphenyl)ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide?
The canonical SMILES for 2-(furan-2-carbonyl)-N-[1-(2-methoxy-5-methylphenyl)ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide is COc1ccc(C)cc1C(C)NC(=O)C1Cc2ccccc2CN1C(=O)c1ccco1.
What is the InChIKey of 2-(furan-2-carbonyl)-N-[1-(2-methoxy-5-methylphenyl)ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide?
The InChIKey is RIEUHAWGXNKHCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O4/c1-16-10-11-22(30-3)20(13-16)17(2)26-24(28)21-14-18-7-4-5-8-19(18)15-27(21)25(29)23-9-6-12-31-23/h4-13,17,21H,14-15H2,1-3H3,(H,26,28).
What are the key properties of 2-(furan-2-carbonyl)-N-[1-(2-methoxy-5-methylphenyl)ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide?
2-(furan-2-carbonyl)-N-[1-(2-methoxy-5-methylphenyl)ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide has a molecular weight of 418.49 g/mol, XLogP of 4.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-carbonyl)-N-[1-(2-methoxy-5-methylphenyl)ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide is sourced from PubChem (CID 55394996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).