N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylpropanamide

C18H22N2O4 — CID 51103726

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylpropanamide
SMILESCc1noc(C)c1C(C)C(=O)N(C)Cc1ccc2c(c1)OCCO2
InChIInChI=1S/C18H22N2O4/c1-11(17-12(2)19-24-13(17)3)18(21)20(4)10-14-5-6-15-16(9-14)23-8-7-22-15/h5-6,9,11H,7-8,10H2,1-4H3
InChIKeyGIVSAQMSFQKOHP-UHFFFAOYSA-N
MW330.38 g/mol
LogP2.82
Rot. Bonds4

About N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylpropanamide

N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylpropanamide (PubChem CID 51103726) has the molecular formula C18H22N2O4 and a molecular weight of 330.38 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylpropanamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylpropanamide
PubChem CID51103726
Molecular FormulaC18H22N2O4
Molecular Weight330.38 g/mol
Exact Mass330.16
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylpropanamide
SMILESCc1noc(C)c1C(C)C(=O)N(C)Cc1ccc2c(c1)OCCO2
InChIInChI=1S/C18H22N2O4/c1-11(17-12(2)19-24-13(17)3)18(21)20(4)10-14-5-6-15-16(9-14)23-8-7-22-15/h5-6,9,11H,7-8,10H2,1-4H3
InChIKeyGIVSAQMSFQKOHP-UHFFFAOYSA-N
XLogP2.82
TPSA64.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-2-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 94821421
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-ethyl-N,5-dimethyl-1,2-oxazole-4-carboxamide
CID 31363980
2-amino-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N,4-dimethylpentanamide
CID 60938296
2-amino-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N,3-dimethylpentanamide
CID 60938179
(2S)-2-amino-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methylpentanamide
CID 107568834
N-(1,3-benzoxazol-2-ylmethyl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylpropanamide
CID 71852224
1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-methyl-3-(2-methylpropyl)urea
CID 47128112
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CID 55713645
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-2-(4-methylphenyl)acetamide
CID 78811641
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N,2-dimethylfuran-3-carboxamide
CID 34764238
(2R)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-2-[[(2R)-oxan-2-yl]methoxy]propanamide
CID 95271481
4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-4-oxobutanamide
CID 55641485

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylpropanamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylpropanamide (CID 51103726) is N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylpropanamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylpropanamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylpropanamide is Cc1noc(C)c1C(C)C(=O)N(C)Cc1ccc2c(c1)OCCO2.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylpropanamide?
The InChIKey is GIVSAQMSFQKOHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4/c1-11(17-12(2)19-24-13(17)3)18(21)20(4)10-14-5-6-15-16(9-14)23-8-7-22-15/h5-6,9,11H,7-8,10H2,1-4H3.
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylpropanamide?
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylpropanamide has a molecular weight of 330.38 g/mol, XLogP of 2.82, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylpropanamide is sourced from PubChem (CID 51103726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).