N-methyl-2-[1-(2-oxo-7-propoxychromene-3-carbonyl)pyrrolidin-3-yl]acetamide

C20H24N2O5 — CID 171906894

IUPACN-methyl-2-[1-(2-oxo-7-propoxychromene-3-carbonyl)pyrrolidin-3-yl]acetamide
SMILESCCCOc1ccc2cc(C(=O)N3CCC(CC(=O)NC)C3)c(=O)oc2c1
InChIInChI=1S/C20H24N2O5/c1-3-8-26-15-5-4-14-10-16(20(25)27-17(14)11-15)19(24)22-7-6-13(12-22)9-18(23)21-2/h4-5,10-11,13H,3,6-9,12H2,1-2H3,(H,21,23)
InChIKeyABWXAKPVSOCTGL-UHFFFAOYSA-N
MW372.42 g/mol
LogP2.18
Rot. Bonds6

About N-methyl-2-[1-(2-oxo-7-propoxychromene-3-carbonyl)pyrrolidin-3-yl]acetamide

N-methyl-2-[1-(2-oxo-7-propoxychromene-3-carbonyl)pyrrolidin-3-yl]acetamide (PubChem CID 171906894) has the molecular formula C20H24N2O5 and a molecular weight of 372.42 g/mol. Its IUPAC name is N-methyl-2-[1-(2-oxo-7-propoxychromene-3-carbonyl)pyrrolidin-3-yl]acetamide.

Molecular Properties

Compound NameN-methyl-2-[1-(2-oxo-7-propoxychromene-3-carbonyl)pyrrolidin-3-yl]acetamide
PubChem CID171906894
Molecular FormulaC20H24N2O5
Molecular Weight372.42 g/mol
Exact Mass372.17
IUPAC NameN-methyl-2-[1-(2-oxo-7-propoxychromene-3-carbonyl)pyrrolidin-3-yl]acetamide
SMILESCCCOc1ccc2cc(C(=O)N3CCC(CC(=O)NC)C3)c(=O)oc2c1
InChIInChI=1S/C20H24N2O5/c1-3-8-26-15-5-4-14-10-16(20(25)27-17(14)11-15)19(24)22-7-6-13(12-22)9-18(23)21-2/h4-5,10-11,13H,3,6-9,12H2,1-2H3,(H,21,23)
InChIKeyABWXAKPVSOCTGL-UHFFFAOYSA-N
XLogP2.18
TPSA88.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.42
LogP ≤ 52.18
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

3-(1,4-diazabicyclo[3.2.1]octane-4-carbonyl)-7-propoxychromen-2-one
CID 171911467
3-[(4aR,7aS)-1-methyl-6,6-dioxo-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazine-4-carbonyl]-7-propoxychromen-2-one
CID 171910700
3-(1,4-dimethyl-1,4,9-triazaspiro[5.5]undecane-9-carbonyl)-7-propoxychromen-2-one
CID 171908073
3-acetyl-7-butoxychromen-2-one
CID 166072598
3-[3-(hydroxymethyl)pyrrolidine-1-carbonyl]chromen-2-one
CID 62372877
N-(2,4-dimethoxyphenyl)-2-oxo-7-propoxychromene-3-carboxamide
CID 5263537
7-octoxy-2-oxochromene-3-carboxylic acid
CID 21182395
N'-(2-oxo-7-propoxychromene-3-carbonyl)pyridine-4-carbohydrazide
CID 5263838
2-oxo-7-propoxy-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)chromene-3-carboxamide
CID 5263615
N-(2,4-dimethylphenyl)-2-oxo-7-propoxychromene-3-carboxamide
CID 5263540
N-(4-butylphenyl)-2-oxo-7-propoxychromene-3-carboxamide
CID 5263305
N-(furan-2-ylmethyl)-2-oxo-7-propoxychromene-3-carboxamide
CID 5263602

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[1-(2-oxo-7-propoxychromene-3-carbonyl)pyrrolidin-3-yl]acetamide?
The IUPAC name of N-methyl-2-[1-(2-oxo-7-propoxychromene-3-carbonyl)pyrrolidin-3-yl]acetamide (CID 171906894) is N-methyl-2-[1-(2-oxo-7-propoxychromene-3-carbonyl)pyrrolidin-3-yl]acetamide.
What is the SMILES notation for N-methyl-2-[1-(2-oxo-7-propoxychromene-3-carbonyl)pyrrolidin-3-yl]acetamide?
The canonical SMILES for N-methyl-2-[1-(2-oxo-7-propoxychromene-3-carbonyl)pyrrolidin-3-yl]acetamide is CCCOc1ccc2cc(C(=O)N3CCC(CC(=O)NC)C3)c(=O)oc2c1.
What is the InChIKey of N-methyl-2-[1-(2-oxo-7-propoxychromene-3-carbonyl)pyrrolidin-3-yl]acetamide?
The InChIKey is ABWXAKPVSOCTGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O5/c1-3-8-26-15-5-4-14-10-16(20(25)27-17(14)11-15)19(24)22-7-6-13(12-22)9-18(23)21-2/h4-5,10-11,13H,3,6-9,12H2,1-2H3,(H,21,23).
What are the key properties of N-methyl-2-[1-(2-oxo-7-propoxychromene-3-carbonyl)pyrrolidin-3-yl]acetamide?
N-methyl-2-[1-(2-oxo-7-propoxychromene-3-carbonyl)pyrrolidin-3-yl]acetamide has a molecular weight of 372.42 g/mol, XLogP of 2.18, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[1-(2-oxo-7-propoxychromene-3-carbonyl)pyrrolidin-3-yl]acetamide is sourced from PubChem (CID 171906894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).