N-(2-aminoethyl)-3-(2-methyl-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl)propanamide

C15H20N4O3 — CID 82150232

IUPACN-(2-aminoethyl)-3-(2-methyl-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl)propanamide
SMILESCc1nc2cc3c(cc2n1CCC(=O)NCCN)OCCO3
InChIInChI=1S/C15H20N4O3/c1-10-18-11-8-13-14(22-7-6-21-13)9-12(11)19(10)5-2-15(20)17-4-3-16/h8-9H,2-7,16H2,1H3,(H,17,20)
InChIKeyFGXXQVKOAWEXTP-UHFFFAOYSA-N
MW304.35 g/mol
LogP0.58
Rot. Bonds5

About N-(2-aminoethyl)-3-(2-methyl-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl)propanamide

N-(2-aminoethyl)-3-(2-methyl-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl)propanamide (PubChem CID 82150232) has the molecular formula C15H20N4O3 and a molecular weight of 304.35 g/mol. Its IUPAC name is N-(2-aminoethyl)-3-(2-methyl-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl)propanamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-3-(2-methyl-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl)propanamide
PubChem CID82150232
Molecular FormulaC15H20N4O3
Molecular Weight304.35 g/mol
Exact Mass304.15
IUPAC NameN-(2-aminoethyl)-3-(2-methyl-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl)propanamide
SMILESCc1nc2cc3c(cc2n1CCC(=O)NCCN)OCCO3
InChIInChI=1S/C15H20N4O3/c1-10-18-11-8-13-14(22-7-6-21-13)9-12(11)19(10)5-2-15(20)17-4-3-16/h8-9H,2-7,16H2,1H3,(H,17,20)
InChIKeyFGXXQVKOAWEXTP-UHFFFAOYSA-N
XLogP0.58
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-3-(2-methyl-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl)propanamide?
The IUPAC name of N-(2-aminoethyl)-3-(2-methyl-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl)propanamide (CID 82150232) is N-(2-aminoethyl)-3-(2-methyl-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl)propanamide.
What is the SMILES notation for N-(2-aminoethyl)-3-(2-methyl-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl)propanamide?
The canonical SMILES for N-(2-aminoethyl)-3-(2-methyl-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl)propanamide is Cc1nc2cc3c(cc2n1CCC(=O)NCCN)OCCO3.
What is the InChIKey of N-(2-aminoethyl)-3-(2-methyl-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl)propanamide?
The InChIKey is FGXXQVKOAWEXTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O3/c1-10-18-11-8-13-14(22-7-6-21-13)9-12(11)19(10)5-2-15(20)17-4-3-16/h8-9H,2-7,16H2,1H3,(H,17,20).
What are the key properties of N-(2-aminoethyl)-3-(2-methyl-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl)propanamide?
N-(2-aminoethyl)-3-(2-methyl-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl)propanamide has a molecular weight of 304.35 g/mol, XLogP of 0.58, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-3-(2-methyl-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl)propanamide is sourced from PubChem (CID 82150232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).