N-methyl-N-[2-(3-methylphenoxy)ethyl]-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide

C21H22N2O4 — CID 134024794

IUPACN-methyl-N-[2-(3-methylphenoxy)ethyl]-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide
SMILESCc1cccc(OCCN(C)C(=O)c2ccc(Cn3ccccc3=O)o2)c1
InChIInChI=1S/C21H22N2O4/c1-16-6-5-7-17(14-16)26-13-12-22(2)21(25)19-10-9-18(27-19)15-23-11-4-3-8-20(23)24/h3-11,14H,12-13,15H2,1-2H3
InChIKeyCTISMIIVUUJKQW-UHFFFAOYSA-N
MW366.42 g/mol
LogP2.95
Rot. Bonds7

About N-methyl-N-[2-(3-methylphenoxy)ethyl]-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide

N-methyl-N-[2-(3-methylphenoxy)ethyl]-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide (PubChem CID 134024794) has the molecular formula C21H22N2O4 and a molecular weight of 366.42 g/mol. Its IUPAC name is N-methyl-N-[2-(3-methylphenoxy)ethyl]-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[2-(3-methylphenoxy)ethyl]-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide
PubChem CID134024794
Molecular FormulaC21H22N2O4
Molecular Weight366.42 g/mol
Exact Mass366.16
IUPAC NameN-methyl-N-[2-(3-methylphenoxy)ethyl]-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide
SMILESCc1cccc(OCCN(C)C(=O)c2ccc(Cn3ccccc3=O)o2)c1
InChIInChI=1S/C21H22N2O4/c1-16-6-5-7-17(14-16)26-13-12-22(2)21(25)19-10-9-18(27-19)15-23-11-4-3-8-20(23)24/h3-11,14H,12-13,15H2,1-2H3
InChIKeyCTISMIIVUUJKQW-UHFFFAOYSA-N
XLogP2.95
TPSA64.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2,4-difluorophenyl)methyl]-N-methyl-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide
CID 38230002
N-[(3-methoxyphenyl)methyl]-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide
CID 134024409
N-(2-hydroxyethyl)-5-[(2-oxo-1-pyridinyl)methyl]-N-propylfuran-2-carboxamide
CID 110887129
N-[(2R)-3-methylbutan-2-yl]-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide
CID 30597946
N-[(2S)-3-methylbutan-2-yl]-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide
CID 30597949
5-[(2-oxo-1-pyridinyl)methyl]-N-prop-2-enylfuran-2-carboxamide
CID 47141528
N-methyl-N-[2-(3-methylphenoxy)ethyl]-4-oxo-1H-pyridine-3-carboxamide
CID 103337273
N-(furan-2-ylmethyl)-N-(4-methylphenyl)-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide
CID 134024570
N-methyl-N-[2-(3-methylphenoxy)ethyl]-3-phenyl-2-sulfanylidene-1H-imidazole-4-carboxamide
CID 24552206
N-[(4-fluorophenyl)-phenylmethyl]-N-methyl-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide
CID 134024895
1-methyl-1-[2-(3-methylphenoxy)ethyl]-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea
CID 78833843
N-methyl-N-[2-(3-methylphenoxy)ethyl]-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 18144038

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-(3-methylphenoxy)ethyl]-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide?
The IUPAC name of N-methyl-N-[2-(3-methylphenoxy)ethyl]-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide (CID 134024794) is N-methyl-N-[2-(3-methylphenoxy)ethyl]-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide.
What is the SMILES notation for N-methyl-N-[2-(3-methylphenoxy)ethyl]-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide?
The canonical SMILES for N-methyl-N-[2-(3-methylphenoxy)ethyl]-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide is Cc1cccc(OCCN(C)C(=O)c2ccc(Cn3ccccc3=O)o2)c1.
What is the InChIKey of N-methyl-N-[2-(3-methylphenoxy)ethyl]-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide?
The InChIKey is CTISMIIVUUJKQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O4/c1-16-6-5-7-17(14-16)26-13-12-22(2)21(25)19-10-9-18(27-19)15-23-11-4-3-8-20(23)24/h3-11,14H,12-13,15H2,1-2H3.
What are the key properties of N-methyl-N-[2-(3-methylphenoxy)ethyl]-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide?
N-methyl-N-[2-(3-methylphenoxy)ethyl]-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide has a molecular weight of 366.42 g/mol, XLogP of 2.95, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-(3-methylphenoxy)ethyl]-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide is sourced from PubChem (CID 134024794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).