4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxo-N-(pyridin-2-ylmethyl)butanamide

C18H18N2O4 — CID 51155427

IUPAC4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxo-N-(pyridin-2-ylmethyl)butanamide
SMILESO=C(CCC(=O)c1ccc2c(c1)OCCO2)NCc1ccccn1
InChIInChI=1S/C18H18N2O4/c21-15(13-4-6-16-17(11-13)24-10-9-23-16)5-7-18(22)20-12-14-3-1-2-8-19-14/h1-4,6,8,11H,5,7,9-10,12H2,(H,20,22)
InChIKeyDLWYUBSEEVRMPA-UHFFFAOYSA-N
MW326.35 g/mol
LogP2.13
Rot. Bonds6

About 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxo-N-(pyridin-2-ylmethyl)butanamide

4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxo-N-(pyridin-2-ylmethyl)butanamide (PubChem CID 51155427) has the molecular formula C18H18N2O4 and a molecular weight of 326.35 g/mol. Its IUPAC name is 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxo-N-(pyridin-2-ylmethyl)butanamide.

Molecular Properties

Compound Name4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxo-N-(pyridin-2-ylmethyl)butanamide
PubChem CID51155427
Molecular FormulaC18H18N2O4
Molecular Weight326.35 g/mol
Exact Mass326.13
IUPAC Name4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxo-N-(pyridin-2-ylmethyl)butanamide
SMILESO=C(CCC(=O)c1ccc2c(c1)OCCO2)NCc1ccccn1
InChIInChI=1S/C18H18N2O4/c21-15(13-4-6-16-17(11-13)24-10-9-23-16)5-7-18(22)20-12-14-3-1-2-8-19-14/h1-4,6,8,11H,5,7,9-10,12H2,(H,20,22)
InChIKeyDLWYUBSEEVRMPA-UHFFFAOYSA-N
XLogP2.13
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.35
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxo-N-propan-2-yl-N-(pyridin-2-ylmethyl)butanamide
CID 51123814
2-[2,3-dihydro-1,4-benzodioxin-6-yl(ethylsulfonyl)amino]-N-(pyridin-2-ylmethyl)acetamide
CID 21367699
N-[2-[(3-cyano-2-pyridinyl)amino]ethyl]-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxobutanamide
CID 55729428
4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxo-N-pyridin-4-ylbutanamide
CID 51193915
N-(4-acetamidobutyl)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxobutanamide
CID 110355187
N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxobutanamide
CID 52545467
1-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]-3-(pyridin-2-ylmethyl)urea
CID 113215953
1-N-(1,3-benzodioxol-5-ylmethyl)-4-N-(pyridin-2-ylmethyl)benzene-1,4-dicarboxamide
CID 109047453
4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[[4-(morpholine-4-carbonyl)phenyl]methyl]-4-oxobutanamide
CID 32862262
4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(1-hydroxycyclobutyl)methyl]-4-oxobutanamide
CID 154861528
4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[3-(N-methylanilino)propyl]-4-oxobutanamide
CID 51151559
4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxo-N-quinolin-5-ylbutanamide
CID 8850188

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxo-N-(pyridin-2-ylmethyl)butanamide?
The IUPAC name of 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxo-N-(pyridin-2-ylmethyl)butanamide (CID 51155427) is 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxo-N-(pyridin-2-ylmethyl)butanamide.
What is the SMILES notation for 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxo-N-(pyridin-2-ylmethyl)butanamide?
The canonical SMILES for 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxo-N-(pyridin-2-ylmethyl)butanamide is O=C(CCC(=O)c1ccc2c(c1)OCCO2)NCc1ccccn1.
What is the InChIKey of 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxo-N-(pyridin-2-ylmethyl)butanamide?
The InChIKey is DLWYUBSEEVRMPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O4/c21-15(13-4-6-16-17(11-13)24-10-9-23-16)5-7-18(22)20-12-14-3-1-2-8-19-14/h1-4,6,8,11H,5,7,9-10,12H2,(H,20,22).
What are the key properties of 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxo-N-(pyridin-2-ylmethyl)butanamide?
4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxo-N-(pyridin-2-ylmethyl)butanamide has a molecular weight of 326.35 g/mol, XLogP of 2.13, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxo-N-(pyridin-2-ylmethyl)butanamide is sourced from PubChem (CID 51155427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).