N-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-2-(7-methyl-2-oxochromen-4-yl)acetamide

C20H26N2O4 — CID 171385232

IUPACN-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-2-(7-methyl-2-oxochromen-4-yl)acetamide
SMILESCOCCN1CCC(CNC(=O)Cc2cc(=O)oc3cc(C)ccc23)C1
InChIInChI=1S/C20H26N2O4/c1-14-3-4-17-16(11-20(24)26-18(17)9-14)10-19(23)21-12-15-5-6-22(13-15)7-8-25-2/h3-4,9,11,15H,5-8,10,12-13H2,1-2H3,(H,21,23)
InChIKeyVQTRMZWIYFEXMS-UHFFFAOYSA-N
MW358.44 g/mol
LogP1.73
Rot. Bonds7

About N-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-2-(7-methyl-2-oxochromen-4-yl)acetamide

N-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-2-(7-methyl-2-oxochromen-4-yl)acetamide (PubChem CID 171385232) has the molecular formula C20H26N2O4 and a molecular weight of 358.44 g/mol. Its IUPAC name is N-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-2-(7-methyl-2-oxochromen-4-yl)acetamide.

Molecular Properties

Compound NameN-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-2-(7-methyl-2-oxochromen-4-yl)acetamide
PubChem CID171385232
Molecular FormulaC20H26N2O4
Molecular Weight358.44 g/mol
Exact Mass358.19
IUPAC NameN-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-2-(7-methyl-2-oxochromen-4-yl)acetamide
SMILESCOCCN1CCC(CNC(=O)Cc2cc(=O)oc3cc(C)ccc23)C1
InChIInChI=1S/C20H26N2O4/c1-14-3-4-17-16(11-20(24)26-18(17)9-14)10-19(23)21-12-15-5-6-22(13-15)7-8-25-2/h3-4,9,11,15H,5-8,10,12-13H2,1-2H3,(H,21,23)
InChIKeyVQTRMZWIYFEXMS-UHFFFAOYSA-N
XLogP1.73
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 51.73
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-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-2-(6-methyl-1H-indol-3-yl)acetamide
CID 71879976
N-[[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-6-methyl-1H-indole-2-carboxamide
CID 95160462
N-[(7S,8aS)-2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-yl]-2-(7-methyl-2-oxochromen-4-yl)acetamide
CID 56749981
N-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-2-(4-methylpyrazol-1-yl)acetamide
CID 91836659
7-methyl-4-[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl]chromen-2-one
CID 41180165
N-[(8-benzyl-1-oxa-8-azaspiro[4.5]decan-2-yl)methyl]-2-(7-methyl-2-oxochromen-4-yl)acetamide
CID 45172256
methyl (2S)-1-[2-(7-methyl-2-oxochromen-4-yl)acetyl]pyrrolidine-2-carboxylate
CID 171388451
4-bromo-N-[[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]benzamide
CID 95238744
N-[[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-2-(methoxymethyl)benzamide
CID 95238690
N-(4,4-difluorocyclohexyl)-2-(7-methyl-2-oxochromen-4-yl)acetamide
CID 171909746
3-cyclobutyl-N-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]propanamide
CID 131900683
N-[[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-2-(2-phenyl-1,3-oxazol-4-yl)acetamide
CID 95159322

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-2-(7-methyl-2-oxochromen-4-yl)acetamide?
The IUPAC name of N-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-2-(7-methyl-2-oxochromen-4-yl)acetamide (CID 171385232) is N-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-2-(7-methyl-2-oxochromen-4-yl)acetamide.
What is the SMILES notation for N-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-2-(7-methyl-2-oxochromen-4-yl)acetamide?
The canonical SMILES for N-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-2-(7-methyl-2-oxochromen-4-yl)acetamide is COCCN1CCC(CNC(=O)Cc2cc(=O)oc3cc(C)ccc23)C1.
What is the InChIKey of N-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-2-(7-methyl-2-oxochromen-4-yl)acetamide?
The InChIKey is VQTRMZWIYFEXMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O4/c1-14-3-4-17-16(11-20(24)26-18(17)9-14)10-19(23)21-12-15-5-6-22(13-15)7-8-25-2/h3-4,9,11,15H,5-8,10,12-13H2,1-2H3,(H,21,23).
What are the key properties of N-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-2-(7-methyl-2-oxochromen-4-yl)acetamide?
N-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-2-(7-methyl-2-oxochromen-4-yl)acetamide has a molecular weight of 358.44 g/mol, XLogP of 1.73, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-2-(7-methyl-2-oxochromen-4-yl)acetamide is sourced from PubChem (CID 171385232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).