2-(1,3-benzodioxol-5-yl)-2-(dimethylamino)-N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]acetamide

C20H25N3O4 — CID 91763538

IUPAC2-(1,3-benzodioxol-5-yl)-2-(dimethylamino)-N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]acetamide
SMILESCOc1nc(C)cc(C)c1CNC(=O)C(c1ccc2c(c1)OCO2)N(C)C
InChIInChI=1S/C20H25N3O4/c1-12-8-13(2)22-20(25-5)15(12)10-21-19(24)18(23(3)4)14-6-7-16-17(9-14)27-11-26-16/h6-9,18H,10-11H2,1-5H3,(H,21,24)
InChIKeyOLIZBHWRQHJMPO-UHFFFAOYSA-N
MW371.44 g/mol
LogP2.35
Rot. Bonds6

About 2-(1,3-benzodioxol-5-yl)-2-(dimethylamino)-N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]acetamide

2-(1,3-benzodioxol-5-yl)-2-(dimethylamino)-N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]acetamide (PubChem CID 91763538) has the molecular formula C20H25N3O4 and a molecular weight of 371.44 g/mol. Its IUPAC name is 2-(1,3-benzodioxol-5-yl)-2-(dimethylamino)-N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]acetamide.

Molecular Properties

Compound Name2-(1,3-benzodioxol-5-yl)-2-(dimethylamino)-N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]acetamide
PubChem CID91763538
Molecular FormulaC20H25N3O4
Molecular Weight371.44 g/mol
Exact Mass371.18
IUPAC Name2-(1,3-benzodioxol-5-yl)-2-(dimethylamino)-N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]acetamide
SMILESCOc1nc(C)cc(C)c1CNC(=O)C(c1ccc2c(c1)OCO2)N(C)C
InChIInChI=1S/C20H25N3O4/c1-12-8-13(2)22-20(25-5)15(12)10-21-19(24)18(23(3)4)14-6-7-16-17(9-14)27-11-26-16/h6-9,18H,10-11H2,1-5H3,(H,21,24)
InChIKeyOLIZBHWRQHJMPO-UHFFFAOYSA-N
XLogP2.35
TPSA72.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(1,3-benzodioxol-5-yl)-2-(dimethylamino)-N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]acetamide with MolForge

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Related Compounds

(2S)-2-(dimethylamino)-N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-3-methylbutanamide
CID 136580567
2-(1,3-benzodioxol-5-yl)-2-(dimethylamino)-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]acetamide
CID 119061342
2-(dimethylamino)-2-(2-fluorophenyl)-N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]acetamide
CID 91772485
2-(1,3-benzodioxol-5-yl)-2-(dimethylamino)-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)acetamide
CID 91798352
2-(1,3-benzodioxol-5-yl)-N-(cyclohexen-1-ylmethyl)-2-(dimethylamino)acetamide
CID 91837794
(2R)-2-(1,3-benzodioxol-5-yl)-N-(cyclohexen-1-ylmethyl)-2-(dimethylamino)acetamide
CID 124855091
2-(1,3-benzodioxol-5-yl)-2-(dimethylamino)-N-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]acetamide
CID 91793731
N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-5-methyl-1,3,4-oxadiazole-2-carboxamide
CID 146144337
2-(1,3-benzodioxol-5-yl)-N-[3-(5-cyclopropylpyrazol-1-yl)propyl]-2-(dimethylamino)acetamide
CID 91830482
(3S)-7-methoxy-N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 95175196
methyl N-[1-(1,3-benzodioxol-5-yl)-3-oxobutyl]carbamate
CID 16758971
(2R)-2-(1,3-benzodioxol-5-yl)-N-[2-(2,3-dihydroindol-1-yl)ethyl]-2-(dimethylamino)acetamide
CID 126443756

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzodioxol-5-yl)-2-(dimethylamino)-N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]acetamide?
The IUPAC name of 2-(1,3-benzodioxol-5-yl)-2-(dimethylamino)-N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]acetamide (CID 91763538) is 2-(1,3-benzodioxol-5-yl)-2-(dimethylamino)-N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]acetamide.
What is the SMILES notation for 2-(1,3-benzodioxol-5-yl)-2-(dimethylamino)-N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]acetamide?
The canonical SMILES for 2-(1,3-benzodioxol-5-yl)-2-(dimethylamino)-N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]acetamide is COc1nc(C)cc(C)c1CNC(=O)C(c1ccc2c(c1)OCO2)N(C)C.
What is the InChIKey of 2-(1,3-benzodioxol-5-yl)-2-(dimethylamino)-N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]acetamide?
The InChIKey is OLIZBHWRQHJMPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O4/c1-12-8-13(2)22-20(25-5)15(12)10-21-19(24)18(23(3)4)14-6-7-16-17(9-14)27-11-26-16/h6-9,18H,10-11H2,1-5H3,(H,21,24).
What are the key properties of 2-(1,3-benzodioxol-5-yl)-2-(dimethylamino)-N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]acetamide?
2-(1,3-benzodioxol-5-yl)-2-(dimethylamino)-N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]acetamide has a molecular weight of 371.44 g/mol, XLogP of 2.35, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzodioxol-5-yl)-2-(dimethylamino)-N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]acetamide is sourced from PubChem (CID 91763538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).