N-[(2R)-2-(dimethylamino)-2-(5-methylfuran-2-yl)ethyl]-7,8-dimethyl-4-oxochromene-2-carboxamide

C21H24N2O4 — CID 26834943

IUPACN-[(2R)-2-(dimethylamino)-2-(5-methylfuran-2-yl)ethyl]-7,8-dimethyl-4-oxochromene-2-carboxamide
SMILESCc1ccc([C@@H](CNC(=O)c2cc(=O)c3ccc(C)c(C)c3o2)N(C)C)o1
InChIInChI=1S/C21H24N2O4/c1-12-6-8-15-17(24)10-19(27-20(15)14(12)3)21(25)22-11-16(23(4)5)18-9-7-13(2)26-18/h6-10,16H,11H2,1-5H3,(H,22,25)/t16-/m1/s1
InChIKeyTXAFZIWFUBZTHK-MRXNPFEDSA-N
MW368.43 g/mol
LogP3.34
Rot. Bonds5

About N-[(2R)-2-(dimethylamino)-2-(5-methylfuran-2-yl)ethyl]-7,8-dimethyl-4-oxochromene-2-carboxamide

N-[(2R)-2-(dimethylamino)-2-(5-methylfuran-2-yl)ethyl]-7,8-dimethyl-4-oxochromene-2-carboxamide (PubChem CID 26834943) has the molecular formula C21H24N2O4 and a molecular weight of 368.43 g/mol. Its IUPAC name is N-[(2R)-2-(dimethylamino)-2-(5-methylfuran-2-yl)ethyl]-7,8-dimethyl-4-oxochromene-2-carboxamide.

Molecular Properties

Compound NameN-[(2R)-2-(dimethylamino)-2-(5-methylfuran-2-yl)ethyl]-7,8-dimethyl-4-oxochromene-2-carboxamide
PubChem CID26834943
Molecular FormulaC21H24N2O4
Molecular Weight368.43 g/mol
Exact Mass368.17
IUPAC NameN-[(2R)-2-(dimethylamino)-2-(5-methylfuran-2-yl)ethyl]-7,8-dimethyl-4-oxochromene-2-carboxamide
SMILESCc1ccc([C@@H](CNC(=O)c2cc(=O)c3ccc(C)c(C)c3o2)N(C)C)o1
InChIInChI=1S/C21H24N2O4/c1-12-6-8-15-17(24)10-19(27-20(15)14(12)3)21(25)22-11-16(23(4)5)18-9-7-13(2)26-18/h6-10,16H,11H2,1-5H3,(H,22,25)/t16-/m1/s1
InChIKeyTXAFZIWFUBZTHK-MRXNPFEDSA-N
XLogP3.34
TPSA75.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(dimethylamino)-2-(5-methylfuran-2-yl)ethyl]-7,8-dimethyl-4-oxochromene-2-carboxamide?
The IUPAC name of N-[(2R)-2-(dimethylamino)-2-(5-methylfuran-2-yl)ethyl]-7,8-dimethyl-4-oxochromene-2-carboxamide (CID 26834943) is N-[(2R)-2-(dimethylamino)-2-(5-methylfuran-2-yl)ethyl]-7,8-dimethyl-4-oxochromene-2-carboxamide.
What is the SMILES notation for N-[(2R)-2-(dimethylamino)-2-(5-methylfuran-2-yl)ethyl]-7,8-dimethyl-4-oxochromene-2-carboxamide?
The canonical SMILES for N-[(2R)-2-(dimethylamino)-2-(5-methylfuran-2-yl)ethyl]-7,8-dimethyl-4-oxochromene-2-carboxamide is Cc1ccc([C@@H](CNC(=O)c2cc(=O)c3ccc(C)c(C)c3o2)N(C)C)o1.
What is the InChIKey of N-[(2R)-2-(dimethylamino)-2-(5-methylfuran-2-yl)ethyl]-7,8-dimethyl-4-oxochromene-2-carboxamide?
The InChIKey is TXAFZIWFUBZTHK-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H24N2O4/c1-12-6-8-15-17(24)10-19(27-20(15)14(12)3)21(25)22-11-16(23(4)5)18-9-7-13(2)26-18/h6-10,16H,11H2,1-5H3,(H,22,25)/t16-/m1/s1.
What are the key properties of N-[(2R)-2-(dimethylamino)-2-(5-methylfuran-2-yl)ethyl]-7,8-dimethyl-4-oxochromene-2-carboxamide?
N-[(2R)-2-(dimethylamino)-2-(5-methylfuran-2-yl)ethyl]-7,8-dimethyl-4-oxochromene-2-carboxamide has a molecular weight of 368.43 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(dimethylamino)-2-(5-methylfuran-2-yl)ethyl]-7,8-dimethyl-4-oxochromene-2-carboxamide is sourced from PubChem (CID 26834943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).