2-(4,8-dimethyl-2-oxochromen-7-yl)oxy-N-[[(3R)-1-methylpyrrolidin-3-yl]methyl]acetamide

C19H24N2O4 — CID 95214572

IUPAC2-(4,8-dimethyl-2-oxochromen-7-yl)oxy-N-[[(3R)-1-methylpyrrolidin-3-yl]methyl]acetamide
SMILESCc1cc(=O)oc2c(C)c(OCC(=O)NC[C@H]3CCN(C)C3)ccc12
InChIInChI=1S/C19H24N2O4/c1-12-8-18(23)25-19-13(2)16(5-4-15(12)19)24-11-17(22)20-9-14-6-7-21(3)10-14/h4-5,8,14H,6-7,9-11H2,1-3H3,(H,20,22)/t14-/m1/s1
InChIKeyMTKDGBPSNWPARO-CQSZACIVSA-N
MW344.41 g/mol
LogP1.86
Rot. Bonds5

About 2-(4,8-dimethyl-2-oxochromen-7-yl)oxy-N-[[(3R)-1-methylpyrrolidin-3-yl]methyl]acetamide

2-(4,8-dimethyl-2-oxochromen-7-yl)oxy-N-[[(3R)-1-methylpyrrolidin-3-yl]methyl]acetamide (PubChem CID 95214572) has the molecular formula C19H24N2O4 and a molecular weight of 344.41 g/mol. Its IUPAC name is 2-(4,8-dimethyl-2-oxochromen-7-yl)oxy-N-[[(3R)-1-methylpyrrolidin-3-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(4,8-dimethyl-2-oxochromen-7-yl)oxy-N-[[(3R)-1-methylpyrrolidin-3-yl]methyl]acetamide
PubChem CID95214572
Molecular FormulaC19H24N2O4
Molecular Weight344.41 g/mol
Exact Mass344.17
IUPAC Name2-(4,8-dimethyl-2-oxochromen-7-yl)oxy-N-[[(3R)-1-methylpyrrolidin-3-yl]methyl]acetamide
SMILESCc1cc(=O)oc2c(C)c(OCC(=O)NC[C@H]3CCN(C)C3)ccc12
InChIInChI=1S/C19H24N2O4/c1-12-8-18(23)25-19-13(2)16(5-4-15(12)19)24-11-17(22)20-9-14-6-7-21(3)10-14/h4-5,8,14H,6-7,9-11H2,1-3H3,(H,20,22)/t14-/m1/s1
InChIKeyMTKDGBPSNWPARO-CQSZACIVSA-N
XLogP1.86
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(dimethylamino)propyl]-2-(4,8-dimethyl-2-oxochromen-7-yl)oxyacetamide
CID 4903604
2-(4,8-dimethyl-2-oxochromen-7-yl)oxy-N-[2-(2,4-dimethylphenoxy)ethyl]acetamide
CID 8564314
2-(2-aminophenoxy)-N-[(1-methylpyrrolidin-3-yl)methyl]acetamide
CID 60855037
2-(4,8-dimethyl-2-oxochromen-7-yl)oxy-N-(2-methylpropylcarbamoyl)acetamide
CID 8563687
2-(4,8-dimethyl-2-oxochromen-7-yl)oxy-N-[[(1R,2S)-2-methylcyclohexyl]carbamoyl]acetamide
CID 8563832
2-(4,8-dimethyl-2-oxochromen-7-yl)oxy-N-[[(1S,2R)-2-methylcyclohexyl]carbamoyl]acetamide
CID 8563829
2-(4,8-dimethyl-2-oxochromen-7-yl)oxy-N-[(2R)-octan-2-yl]acetamide
CID 8564343
4-hydroxy-8-methyl-7-[(1-methylpiperidin-3-yl)methoxy]chromen-2-one
CID 54718831
2-(4,8-dimethyl-2-oxochromen-7-yl)oxy-N-(1-phenylethyl)acetamide
CID 18202496
2-(4,8-dimethyl-2-oxochromen-7-yl)oxy-N-(4-nitrophenyl)acetamide
CID 8563514
N-[[(1R,3S)-3-aminocyclohexyl]methyl]-2-[(4-methyl-6-oxo-7,8,9,10-tetrahydrobenzo[c]chromen-3-yl)oxy]acetamide
CID 171916421
2-(4,8-dimethyl-2-oxochromen-7-yl)oxy-N-[(1S)-1-(4-methylphenyl)propyl]acetamide
CID 8563913

Frequently Asked Questions

What is the IUPAC name of 2-(4,8-dimethyl-2-oxochromen-7-yl)oxy-N-[[(3R)-1-methylpyrrolidin-3-yl]methyl]acetamide?
The IUPAC name of 2-(4,8-dimethyl-2-oxochromen-7-yl)oxy-N-[[(3R)-1-methylpyrrolidin-3-yl]methyl]acetamide (CID 95214572) is 2-(4,8-dimethyl-2-oxochromen-7-yl)oxy-N-[[(3R)-1-methylpyrrolidin-3-yl]methyl]acetamide.
What is the SMILES notation for 2-(4,8-dimethyl-2-oxochromen-7-yl)oxy-N-[[(3R)-1-methylpyrrolidin-3-yl]methyl]acetamide?
The canonical SMILES for 2-(4,8-dimethyl-2-oxochromen-7-yl)oxy-N-[[(3R)-1-methylpyrrolidin-3-yl]methyl]acetamide is Cc1cc(=O)oc2c(C)c(OCC(=O)NC[C@H]3CCN(C)C3)ccc12.
What is the InChIKey of 2-(4,8-dimethyl-2-oxochromen-7-yl)oxy-N-[[(3R)-1-methylpyrrolidin-3-yl]methyl]acetamide?
The InChIKey is MTKDGBPSNWPARO-CQSZACIVSA-N. The full InChI is InChI=1S/C19H24N2O4/c1-12-8-18(23)25-19-13(2)16(5-4-15(12)19)24-11-17(22)20-9-14-6-7-21(3)10-14/h4-5,8,14H,6-7,9-11H2,1-3H3,(H,20,22)/t14-/m1/s1.
What are the key properties of 2-(4,8-dimethyl-2-oxochromen-7-yl)oxy-N-[[(3R)-1-methylpyrrolidin-3-yl]methyl]acetamide?
2-(4,8-dimethyl-2-oxochromen-7-yl)oxy-N-[[(3R)-1-methylpyrrolidin-3-yl]methyl]acetamide has a molecular weight of 344.41 g/mol, XLogP of 1.86, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,8-dimethyl-2-oxochromen-7-yl)oxy-N-[[(3R)-1-methylpyrrolidin-3-yl]methyl]acetamide is sourced from PubChem (CID 95214572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).