N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(furan-2-yl)ethyl]-N'-(2-methoxyphenyl)oxamide

C24H25N3O4 — CID 18577649

IUPACN-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(furan-2-yl)ethyl]-N'-(2-methoxyphenyl)oxamide
SMILESCOc1ccccc1NC(=O)C(=O)NCC(c1ccco1)N1CCc2ccccc2C1
InChIInChI=1S/C24H25N3O4/c1-30-21-10-5-4-9-19(21)26-24(29)23(28)25-15-20(22-11-6-14-31-22)27-13-12-17-7-2-3-8-18(17)16-27/h2-11,14,20H,12-13,15-16H2,1H3,(H,25,28)(H,26,29)
InChIKeyULLUJINBJZTIFW-UHFFFAOYSA-N
MW419.48 g/mol
LogP3.14
Rot. Bonds6

About N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(furan-2-yl)ethyl]-N'-(2-methoxyphenyl)oxamide

N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(furan-2-yl)ethyl]-N'-(2-methoxyphenyl)oxamide (PubChem CID 18577649) has the molecular formula C24H25N3O4 and a molecular weight of 419.48 g/mol. Its IUPAC name is N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(furan-2-yl)ethyl]-N'-(2-methoxyphenyl)oxamide.

Molecular Properties

Compound NameN-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(furan-2-yl)ethyl]-N'-(2-methoxyphenyl)oxamide
PubChem CID18577649
Molecular FormulaC24H25N3O4
Molecular Weight419.48 g/mol
Exact Mass419.18
IUPAC NameN-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(furan-2-yl)ethyl]-N'-(2-methoxyphenyl)oxamide
SMILESCOc1ccccc1NC(=O)C(=O)NCC(c1ccco1)N1CCc2ccccc2C1
InChIInChI=1S/C24H25N3O4/c1-30-21-10-5-4-9-19(21)26-24(29)23(28)25-15-20(22-11-6-14-31-22)27-13-12-17-7-2-3-8-18(17)16-27/h2-11,14,20H,12-13,15-16H2,1H3,(H,25,28)(H,26,29)
InChIKeyULLUJINBJZTIFW-UHFFFAOYSA-N
XLogP3.14
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.48
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(furan-2-yl)ethyl]-N'-(2-methoxyphenyl)oxamide?
The IUPAC name of N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(furan-2-yl)ethyl]-N'-(2-methoxyphenyl)oxamide (CID 18577649) is N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(furan-2-yl)ethyl]-N'-(2-methoxyphenyl)oxamide.
What is the SMILES notation for N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(furan-2-yl)ethyl]-N'-(2-methoxyphenyl)oxamide?
The canonical SMILES for N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(furan-2-yl)ethyl]-N'-(2-methoxyphenyl)oxamide is COc1ccccc1NC(=O)C(=O)NCC(c1ccco1)N1CCc2ccccc2C1.
What is the InChIKey of N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(furan-2-yl)ethyl]-N'-(2-methoxyphenyl)oxamide?
The InChIKey is ULLUJINBJZTIFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O4/c1-30-21-10-5-4-9-19(21)26-24(29)23(28)25-15-20(22-11-6-14-31-22)27-13-12-17-7-2-3-8-18(17)16-27/h2-11,14,20H,12-13,15-16H2,1H3,(H,25,28)(H,26,29).
What are the key properties of N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(furan-2-yl)ethyl]-N'-(2-methoxyphenyl)oxamide?
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(furan-2-yl)ethyl]-N'-(2-methoxyphenyl)oxamide has a molecular weight of 419.48 g/mol, XLogP of 3.14, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(furan-2-yl)ethyl]-N'-(2-methoxyphenyl)oxamide is sourced from PubChem (CID 18577649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).