N-[2-[2-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]tetrazol-5-yl]phenyl]pentanamide

C22H24N6O4 — CID 43813163

About N-[2-[2-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]tetrazol-5-yl]phenyl]pentanamide

N-[2-[2-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]tetrazol-5-yl]phenyl]pentanamide (PubChem CID 43813163) has the molecular formula C22H24N6O4 and a molecular weight of 436.47 g/mol. Its IUPAC name is N-[2-[2-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]tetrazol-5-yl]phenyl]pentanamide.

Molecular Properties

• Compound Name: N-[2-[2-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]tetrazol-5-yl]phenyl]pentanamide
• PubChem CID: 43813163
• Molecular Formula: C22H24N6O4
• Molecular Weight: 436.47 g/mol
• Exact Mass: 436.19
• IUPAC Name: N-[2-[2-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]tetrazol-5-yl]phenyl]pentanamide
• SMILES: CCCCC(=O)Nc1ccccc1-c1nnn(CC(=O)Nc2ccc3c(c2)OCCO3)n1
• InChI: InChI=1S/C22H24N6O4/c1-2-3-8-20(29)24-17-7-5-4-6-16(17)22-25-27-28(26-22)14-21(30)23-15-9-10-18-19(13-15)32-12-11-31-18/h4-7,9-10,13H,2-3,8,11-12,14H2,1H3,(H,23,30)(H,24,29)
• InChIKey: YXJORXMITJHPMP-UHFFFAOYSA-N
• XLogP: 2.88
• TPSA: 120.26 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	436.47
LogP ≤ 5	2.88
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]tetrazol-5-yl]phenyl]pentanamide?

The IUPAC name of N-[2-[2-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]tetrazol-5-yl]phenyl]pentanamide (CID 43813163) is N-[2-[2-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]tetrazol-5-yl]phenyl]pentanamide.

What is the SMILES notation for N-[2-[2-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]tetrazol-5-yl]phenyl]pentanamide?

The canonical SMILES for N-[2-[2-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]tetrazol-5-yl]phenyl]pentanamide is CCCCC(=O)Nc1ccccc1-c1nnn(CC(=O)Nc2ccc3c(c2)OCCO3)n1.

What is the InChIKey of N-[2-[2-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]tetrazol-5-yl]phenyl]pentanamide?

The InChIKey is YXJORXMITJHPMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6O4/c1-2-3-8-20(29)24-17-7-5-4-6-16(17)22-25-27-28(26-22)14-21(30)23-15-9-10-18-19(13-15)32-12-11-31-18/h4-7,9-10,13H,2-3,8,11-12,14H2,1H3,(H,23,30)(H,24,29).

What are the key properties of N-[2-[2-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]tetrazol-5-yl]phenyl]pentanamide?

N-[2-[2-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]tetrazol-5-yl]phenyl]pentanamide has a molecular weight of 436.47 g/mol, XLogP of 2.88, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[2-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]tetrazol-5-yl]phenyl]pentanamide is sourced from PubChem (CID 43813163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).