8-methoxy-N-(2-pyrrolidin-3-ylethyl)-2H-chromene-3-carboxamide

C17H22N2O3 — CID 119533955

IUPAC8-methoxy-N-(2-pyrrolidin-3-ylethyl)-2H-chromene-3-carboxamide
SMILESCOc1cccc2c1OCC(C(=O)NCCC1CCNC1)=C2
InChIInChI=1S/C17H22N2O3/c1-21-15-4-2-3-13-9-14(11-22-16(13)15)17(20)19-8-6-12-5-7-18-10-12/h2-4,9,12,18H,5-8,10-11H2,1H3,(H,19,20)
InChIKeyVNCGZNDTSNSTFZ-UHFFFAOYSA-N
MW302.37 g/mol
LogP1.59
Rot. Bonds5

About 8-methoxy-N-(2-pyrrolidin-3-ylethyl)-2H-chromene-3-carboxamide

8-methoxy-N-(2-pyrrolidin-3-ylethyl)-2H-chromene-3-carboxamide (PubChem CID 119533955) has the molecular formula C17H22N2O3 and a molecular weight of 302.37 g/mol. Its IUPAC name is 8-methoxy-N-(2-pyrrolidin-3-ylethyl)-2H-chromene-3-carboxamide.

Molecular Properties

Compound Name8-methoxy-N-(2-pyrrolidin-3-ylethyl)-2H-chromene-3-carboxamide
PubChem CID119533955
Molecular FormulaC17H22N2O3
Molecular Weight302.37 g/mol
Exact Mass302.16
IUPAC Name8-methoxy-N-(2-pyrrolidin-3-ylethyl)-2H-chromene-3-carboxamide
SMILESCOc1cccc2c1OCC(C(=O)NCCC1CCNC1)=C2
InChIInChI=1S/C17H22N2O3/c1-21-15-4-2-3-13-9-14(11-22-16(13)15)17(20)19-8-6-12-5-7-18-10-12/h2-4,9,12,18H,5-8,10-11H2,1H3,(H,19,20)
InChIKeyVNCGZNDTSNSTFZ-UHFFFAOYSA-N
XLogP1.59
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-methoxy-N-(2-pyrrolidin-3-ylethyl)-2H-chromene-3-carboxamide?
The IUPAC name of 8-methoxy-N-(2-pyrrolidin-3-ylethyl)-2H-chromene-3-carboxamide (CID 119533955) is 8-methoxy-N-(2-pyrrolidin-3-ylethyl)-2H-chromene-3-carboxamide.
What is the SMILES notation for 8-methoxy-N-(2-pyrrolidin-3-ylethyl)-2H-chromene-3-carboxamide?
The canonical SMILES for 8-methoxy-N-(2-pyrrolidin-3-ylethyl)-2H-chromene-3-carboxamide is COc1cccc2c1OCC(C(=O)NCCC1CCNC1)=C2.
What is the InChIKey of 8-methoxy-N-(2-pyrrolidin-3-ylethyl)-2H-chromene-3-carboxamide?
The InChIKey is VNCGZNDTSNSTFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3/c1-21-15-4-2-3-13-9-14(11-22-16(13)15)17(20)19-8-6-12-5-7-18-10-12/h2-4,9,12,18H,5-8,10-11H2,1H3,(H,19,20).
What are the key properties of 8-methoxy-N-(2-pyrrolidin-3-ylethyl)-2H-chromene-3-carboxamide?
8-methoxy-N-(2-pyrrolidin-3-ylethyl)-2H-chromene-3-carboxamide has a molecular weight of 302.37 g/mol, XLogP of 1.59, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-N-(2-pyrrolidin-3-ylethyl)-2H-chromene-3-carboxamide is sourced from PubChem (CID 119533955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).