N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide

C19H25N3O4 — CID 55713645

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide
SMILESCC(C)c1noc(CCCC(=O)N(C)Cc2ccc3c(c2)OCCO3)n1
InChIInChI=1S/C19H25N3O4/c1-13(2)19-20-17(26-21-19)5-4-6-18(23)22(3)12-14-7-8-15-16(11-14)25-10-9-24-15/h7-8,11,13H,4-6,9-10,12H2,1-3H3
InChIKeyXJRPWHUHFCCQCM-UHFFFAOYSA-N
MW359.43 g/mol
LogP2.95
Rot. Bonds7

About N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide

N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide (PubChem CID 55713645) has the molecular formula C19H25N3O4 and a molecular weight of 359.43 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide
PubChem CID55713645
Molecular FormulaC19H25N3O4
Molecular Weight359.43 g/mol
Exact Mass359.18
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide
SMILESCC(C)c1noc(CCCC(=O)N(C)Cc2ccc3c(c2)OCCO3)n1
InChIInChI=1S/C19H25N3O4/c1-13(2)19-20-17(26-21-19)5-4-6-18(23)22(3)12-14-7-8-15-16(11-14)25-10-9-24-15/h7-8,11,13H,4-6,9-10,12H2,1-3H3
InChIKeyXJRPWHUHFCCQCM-UHFFFAOYSA-N
XLogP2.95
TPSA77.69 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylpropanamide
CID 35701708
N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide
CID 55713294
N-[(4-bromophenyl)methyl]-N-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide
CID 55663153
N-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide
CID 55712379
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-2-(4-methylphenyl)acetamide
CID 78811641
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)-3-hydroxy-N-methylpropanamide
CID 115139146
3-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]-3-oxopropanoic acid
CID 62232596
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylpropanamide
CID 51103726
N-[4-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]-4-oxobutyl]benzamide
CID 39758747
3-(cyclopropylamino)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methylpropanamide
CID 60936891
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-2-(2-methylphenyl)acetamide
CID 34764151
4-amino-N-(1,3-benzodioxol-5-ylmethyl)-N-methylpentanamide;hydrochloride
CID 120559274

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide (CID 55713645) is N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide is CC(C)c1noc(CCCC(=O)N(C)Cc2ccc3c(c2)OCCO3)n1.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide?
The InChIKey is XJRPWHUHFCCQCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O4/c1-13(2)19-20-17(26-21-19)5-4-6-18(23)22(3)12-14-7-8-15-16(11-14)25-10-9-24-15/h7-8,11,13H,4-6,9-10,12H2,1-3H3.
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide?
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide has a molecular weight of 359.43 g/mol, XLogP of 2.95, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide is sourced from PubChem (CID 55713645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).