N-(1-hydroxybutan-2-yl)-N-(pyridin-2-ylmethyl)-2,3-dihydro-1-benzofuran-5-carboxamide

C19H22N2O3 — CID 50961849

IUPACN-(1-hydroxybutan-2-yl)-N-(pyridin-2-ylmethyl)-2,3-dihydro-1-benzofuran-5-carboxamide
SMILESCCC(CO)N(Cc1ccccn1)C(=O)c1ccc2c(c1)CCO2
InChIInChI=1S/C19H22N2O3/c1-2-17(13-22)21(12-16-5-3-4-9-20-16)19(23)15-6-7-18-14(11-15)8-10-24-18/h3-7,9,11,17,22H,2,8,10,12-13H2,1H3
InChIKeyHSFHBXNKBVISJM-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.43
Rot. Bonds6

About N-(1-hydroxybutan-2-yl)-N-(pyridin-2-ylmethyl)-2,3-dihydro-1-benzofuran-5-carboxamide

N-(1-hydroxybutan-2-yl)-N-(pyridin-2-ylmethyl)-2,3-dihydro-1-benzofuran-5-carboxamide (PubChem CID 50961849) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is N-(1-hydroxybutan-2-yl)-N-(pyridin-2-ylmethyl)-2,3-dihydro-1-benzofuran-5-carboxamide.

Molecular Properties

Compound NameN-(1-hydroxybutan-2-yl)-N-(pyridin-2-ylmethyl)-2,3-dihydro-1-benzofuran-5-carboxamide
PubChem CID50961849
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC NameN-(1-hydroxybutan-2-yl)-N-(pyridin-2-ylmethyl)-2,3-dihydro-1-benzofuran-5-carboxamide
SMILESCCC(CO)N(Cc1ccccn1)C(=O)c1ccc2c(c1)CCO2
InChIInChI=1S/C19H22N2O3/c1-2-17(13-22)21(12-16-5-3-4-9-20-16)19(23)15-6-7-18-14(11-15)8-10-24-18/h3-7,9,11,17,22H,2,8,10,12-13H2,1H3
InChIKeyHSFHBXNKBVISJM-UHFFFAOYSA-N
XLogP2.43
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxybutan-2-yl)-N-(pyridin-2-ylmethyl)-2,3-dihydro-1-benzofuran-5-carboxamide?
The IUPAC name of N-(1-hydroxybutan-2-yl)-N-(pyridin-2-ylmethyl)-2,3-dihydro-1-benzofuran-5-carboxamide (CID 50961849) is N-(1-hydroxybutan-2-yl)-N-(pyridin-2-ylmethyl)-2,3-dihydro-1-benzofuran-5-carboxamide.
What is the SMILES notation for N-(1-hydroxybutan-2-yl)-N-(pyridin-2-ylmethyl)-2,3-dihydro-1-benzofuran-5-carboxamide?
The canonical SMILES for N-(1-hydroxybutan-2-yl)-N-(pyridin-2-ylmethyl)-2,3-dihydro-1-benzofuran-5-carboxamide is CCC(CO)N(Cc1ccccn1)C(=O)c1ccc2c(c1)CCO2.
What is the InChIKey of N-(1-hydroxybutan-2-yl)-N-(pyridin-2-ylmethyl)-2,3-dihydro-1-benzofuran-5-carboxamide?
The InChIKey is HSFHBXNKBVISJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-2-17(13-22)21(12-16-5-3-4-9-20-16)19(23)15-6-7-18-14(11-15)8-10-24-18/h3-7,9,11,17,22H,2,8,10,12-13H2,1H3.
What are the key properties of N-(1-hydroxybutan-2-yl)-N-(pyridin-2-ylmethyl)-2,3-dihydro-1-benzofuran-5-carboxamide?
N-(1-hydroxybutan-2-yl)-N-(pyridin-2-ylmethyl)-2,3-dihydro-1-benzofuran-5-carboxamide has a molecular weight of 326.40 g/mol, XLogP of 2.43, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxybutan-2-yl)-N-(pyridin-2-ylmethyl)-2,3-dihydro-1-benzofuran-5-carboxamide is sourced from PubChem (CID 50961849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).