N-methyl-2-(4-methyl-2-oxochromen-7-yl)oxy-N-[(2-pyrrolidin-1-ylphenyl)methyl]acetamide

C24H26N2O4 — CID 31645462

IUPACN-methyl-2-(4-methyl-2-oxochromen-7-yl)oxy-N-[(2-pyrrolidin-1-ylphenyl)methyl]acetamide
SMILESCc1cc(=O)oc2cc(OCC(=O)N(C)Cc3ccccc3N3CCCC3)ccc12
InChIInChI=1S/C24H26N2O4/c1-17-13-24(28)30-22-14-19(9-10-20(17)22)29-16-23(27)25(2)15-18-7-3-4-8-21(18)26-11-5-6-12-26/h3-4,7-10,13-14H,5-6,11-12,15-16H2,1-2H3
InChIKeyRUEZGKPDWGZWKY-UHFFFAOYSA-N
MW406.48 g/mol
LogP3.74
Rot. Bonds6

About N-methyl-2-(4-methyl-2-oxochromen-7-yl)oxy-N-[(2-pyrrolidin-1-ylphenyl)methyl]acetamide

N-methyl-2-(4-methyl-2-oxochromen-7-yl)oxy-N-[(2-pyrrolidin-1-ylphenyl)methyl]acetamide (PubChem CID 31645462) has the molecular formula C24H26N2O4 and a molecular weight of 406.48 g/mol. Its IUPAC name is N-methyl-2-(4-methyl-2-oxochromen-7-yl)oxy-N-[(2-pyrrolidin-1-ylphenyl)methyl]acetamide.

Molecular Properties

Compound NameN-methyl-2-(4-methyl-2-oxochromen-7-yl)oxy-N-[(2-pyrrolidin-1-ylphenyl)methyl]acetamide
PubChem CID31645462
Molecular FormulaC24H26N2O4
Molecular Weight406.48 g/mol
Exact Mass406.19
IUPAC NameN-methyl-2-(4-methyl-2-oxochromen-7-yl)oxy-N-[(2-pyrrolidin-1-ylphenyl)methyl]acetamide
SMILESCc1cc(=O)oc2cc(OCC(=O)N(C)Cc3ccccc3N3CCCC3)ccc12
InChIInChI=1S/C24H26N2O4/c1-17-13-24(28)30-22-14-19(9-10-20(17)22)29-16-23(27)25(2)15-18-7-3-4-8-21(18)26-11-5-6-12-26/h3-4,7-10,13-14H,5-6,11-12,15-16H2,1-2H3
InChIKeyRUEZGKPDWGZWKY-UHFFFAOYSA-N
XLogP3.74
TPSA62.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.48
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-2-[(4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]-N-[(2-pyrrolidin-1-ylphenyl)methyl]acetamide
CID 31645387
7-[2-[4-(2-chlorophenyl)piperazin-1-yl]-2-oxoethoxy]-4-methylchromen-2-one
CID 9020059
N-[(4-fluorophenyl)methyl]-N-methyl-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 16524874
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methyl-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 42896195
N-(2-chlorophenyl)-2-[methyl-[2-(4-methyl-2-oxochromen-7-yl)oxyacetyl]amino]acetamide
CID 26561023
N-[(2-fluorophenyl)methyl]-N-methyl-2-(2-oxo-4-propan-2-ylchromen-7-yl)oxyacetamide
CID 112806529
N-cyclohexyl-N-ethyl-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 18156097
2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxy-N-methyl-N-[(2-methylphenyl)methyl]acetamide
CID 4828466
N-methyl-N-(4-methylcyclohexyl)-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 27859428
2-(4-methyl-2-oxochromen-7-yl)oxyacetate
CID 4616193
4-methyl-7-(2-naphthalen-2-yl-2-oxoethoxy)chromen-2-one
CID 882295
4-methyl-7-(2-oxobutoxy)chromen-2-one
CID 62038518

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(4-methyl-2-oxochromen-7-yl)oxy-N-[(2-pyrrolidin-1-ylphenyl)methyl]acetamide?
The IUPAC name of N-methyl-2-(4-methyl-2-oxochromen-7-yl)oxy-N-[(2-pyrrolidin-1-ylphenyl)methyl]acetamide (CID 31645462) is N-methyl-2-(4-methyl-2-oxochromen-7-yl)oxy-N-[(2-pyrrolidin-1-ylphenyl)methyl]acetamide.
What is the SMILES notation for N-methyl-2-(4-methyl-2-oxochromen-7-yl)oxy-N-[(2-pyrrolidin-1-ylphenyl)methyl]acetamide?
The canonical SMILES for N-methyl-2-(4-methyl-2-oxochromen-7-yl)oxy-N-[(2-pyrrolidin-1-ylphenyl)methyl]acetamide is Cc1cc(=O)oc2cc(OCC(=O)N(C)Cc3ccccc3N3CCCC3)ccc12.
What is the InChIKey of N-methyl-2-(4-methyl-2-oxochromen-7-yl)oxy-N-[(2-pyrrolidin-1-ylphenyl)methyl]acetamide?
The InChIKey is RUEZGKPDWGZWKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O4/c1-17-13-24(28)30-22-14-19(9-10-20(17)22)29-16-23(27)25(2)15-18-7-3-4-8-21(18)26-11-5-6-12-26/h3-4,7-10,13-14H,5-6,11-12,15-16H2,1-2H3.
What are the key properties of N-methyl-2-(4-methyl-2-oxochromen-7-yl)oxy-N-[(2-pyrrolidin-1-ylphenyl)methyl]acetamide?
N-methyl-2-(4-methyl-2-oxochromen-7-yl)oxy-N-[(2-pyrrolidin-1-ylphenyl)methyl]acetamide has a molecular weight of 406.48 g/mol, XLogP of 3.74, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(4-methyl-2-oxochromen-7-yl)oxy-N-[(2-pyrrolidin-1-ylphenyl)methyl]acetamide is sourced from PubChem (CID 31645462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).