(2R)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-2-(1,3,5-trimethylpyrazol-4-yl)propanamide

C19H25N3O3 — CID 94821421

IUPAC(2R)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-2-(1,3,5-trimethylpyrazol-4-yl)propanamide
SMILESCc1nn(C)c(C)c1[C@@H](C)C(=O)N(C)Cc1ccc2c(c1)OCCO2
InChIInChI=1S/C19H25N3O3/c1-12(18-13(2)20-22(5)14(18)3)19(23)21(4)11-15-6-7-16-17(10-15)25-9-8-24-16/h6-7,10,12H,8-9,11H2,1-5H3/t12-/m1/s1
InChIKeyUKYBIHHHZWVFSO-GFCCVEGCSA-N
MW343.43 g/mol
LogP2.57
Rot. Bonds4

About (2R)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-2-(1,3,5-trimethylpyrazol-4-yl)propanamide

(2R)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-2-(1,3,5-trimethylpyrazol-4-yl)propanamide (PubChem CID 94821421) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is (2R)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-2-(1,3,5-trimethylpyrazol-4-yl)propanamide.

Molecular Properties

Compound Name(2R)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-2-(1,3,5-trimethylpyrazol-4-yl)propanamide
PubChem CID94821421
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC Name(2R)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-2-(1,3,5-trimethylpyrazol-4-yl)propanamide
SMILESCc1nn(C)c(C)c1[C@@H](C)C(=O)N(C)Cc1ccc2c(c1)OCCO2
InChIInChI=1S/C19H25N3O3/c1-12(18-13(2)20-22(5)14(18)3)19(23)21(4)11-15-6-7-16-17(10-15)25-9-8-24-16/h6-7,10,12H,8-9,11H2,1-5H3/t12-/m1/s1
InChIKeyUKYBIHHHZWVFSO-GFCCVEGCSA-N
XLogP2.57
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylpropanamide
CID 51103726
2-amino-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N,4-dimethylpentanamide
CID 60938296
N-methyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-2-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 71863736
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
2-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N,2-dimethylpropanamide
CID 115649422
1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-methyl-3-(2-methylpropyl)urea
CID 47128112
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)-1,3,5-trimethylpyrazole-4-carboxamide
CID 146123063
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)-N,1,3-trimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 35701623
2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]acetamide
CID 46968703

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-2-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The IUPAC name of (2R)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-2-(1,3,5-trimethylpyrazol-4-yl)propanamide (CID 94821421) is (2R)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-2-(1,3,5-trimethylpyrazol-4-yl)propanamide.
What is the SMILES notation for (2R)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-2-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The canonical SMILES for (2R)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-2-(1,3,5-trimethylpyrazol-4-yl)propanamide is Cc1nn(C)c(C)c1[C@@H](C)C(=O)N(C)Cc1ccc2c(c1)OCCO2.
What is the InChIKey of (2R)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-2-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The InChIKey is UKYBIHHHZWVFSO-GFCCVEGCSA-N. The full InChI is InChI=1S/C19H25N3O3/c1-12(18-13(2)20-22(5)14(18)3)19(23)21(4)11-15-6-7-16-17(10-15)25-9-8-24-16/h6-7,10,12H,8-9,11H2,1-5H3/t12-/m1/s1.
What are the key properties of (2R)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-2-(1,3,5-trimethylpyrazol-4-yl)propanamide?
(2R)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-2-(1,3,5-trimethylpyrazol-4-yl)propanamide has a molecular weight of 343.43 g/mol, XLogP of 2.57, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-2-(1,3,5-trimethylpyrazol-4-yl)propanamide is sourced from PubChem (CID 94821421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).