(2R)-2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-(methylcarbamoyl)-2-phenylacetamide

C19H21N3O4 — CID 26650360

IUPAC(2R)-2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-(methylcarbamoyl)-2-phenylacetamide
SMILESCNC(=O)NC(=O)[C@@H](c1ccccc1)N(C)Cc1ccc2c(c1)OCO2
InChIInChI=1S/C19H21N3O4/c1-20-19(24)21-18(23)17(14-6-4-3-5-7-14)22(2)11-13-8-9-15-16(10-13)26-12-25-15/h3-10,17H,11-12H2,1-2H3,(H2,20,21,23,24)/t17-/m1/s1
InChIKeyMMOGHURVSXAQAJ-QGZVFWFLSA-N
MW355.39 g/mol
LogP2.04
Rot. Bonds5

About (2R)-2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-(methylcarbamoyl)-2-phenylacetamide

(2R)-2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-(methylcarbamoyl)-2-phenylacetamide (PubChem CID 26650360) has the molecular formula C19H21N3O4 and a molecular weight of 355.39 g/mol. Its IUPAC name is (2R)-2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-(methylcarbamoyl)-2-phenylacetamide.

Molecular Properties

Compound Name(2R)-2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-(methylcarbamoyl)-2-phenylacetamide
PubChem CID26650360
Molecular FormulaC19H21N3O4
Molecular Weight355.39 g/mol
Exact Mass355.15
IUPAC Name(2R)-2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-(methylcarbamoyl)-2-phenylacetamide
SMILESCNC(=O)NC(=O)[C@@H](c1ccccc1)N(C)Cc1ccc2c(c1)OCO2
InChIInChI=1S/C19H21N3O4/c1-20-19(24)21-18(23)17(14-6-4-3-5-7-14)22(2)11-13-8-9-15-16(10-13)26-12-25-15/h3-10,17H,11-12H2,1-2H3,(H2,20,21,23,24)/t17-/m1/s1
InChIKeyMMOGHURVSXAQAJ-QGZVFWFLSA-N
XLogP2.04
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylacetamide
CID 34710983
(2R)-N-(methylcarbamoyl)-2-[methyl-[(4-methylphenyl)methyl]amino]-2-phenylacetamide
CID 8517511
2-[(4-fluorophenyl)methyl-methylamino]-N-(methylcarbamoyl)-2-phenylacetamide
CID 51167401
N-methyl-4-[[methyl-[(1S)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl]amino]methyl]benzamide
CID 9123829
(2S)-2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-2-phenyl-1-pyrrolidin-1-ylethanone
CID 8924310
2-(1,3-benzodioxol-5-yl)-N-(methylcarbamoyl)acetamide
CID 11770451
(2S)-2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-1-(1H-indol-3-yl)-2-phenylethanone
CID 8774768
(2R)-2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-2-thiophen-3-ylacetic acid
CID 164631193
2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-(2-propan-2-ylphenyl)propanamide
CID 51244258
1-(1,3-benzodioxol-5-ylmethyl)-3-ethyl-1-(1-phenylethyl)urea
CID 42725590
(2S)-2-[(1-benzylpyrazol-4-yl)methyl-methylamino]-N-(methylcarbamoyl)-2-phenylacetamide
CID 26641517
2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-(cyclohexylcarbamoyl)propanamide
CID 22110920

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-(methylcarbamoyl)-2-phenylacetamide?
The IUPAC name of (2R)-2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-(methylcarbamoyl)-2-phenylacetamide (CID 26650360) is (2R)-2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-(methylcarbamoyl)-2-phenylacetamide.
What is the SMILES notation for (2R)-2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-(methylcarbamoyl)-2-phenylacetamide?
The canonical SMILES for (2R)-2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-(methylcarbamoyl)-2-phenylacetamide is CNC(=O)NC(=O)[C@@H](c1ccccc1)N(C)Cc1ccc2c(c1)OCO2.
What is the InChIKey of (2R)-2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-(methylcarbamoyl)-2-phenylacetamide?
The InChIKey is MMOGHURVSXAQAJ-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H21N3O4/c1-20-19(24)21-18(23)17(14-6-4-3-5-7-14)22(2)11-13-8-9-15-16(10-13)26-12-25-15/h3-10,17H,11-12H2,1-2H3,(H2,20,21,23,24)/t17-/m1/s1.
What are the key properties of (2R)-2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-(methylcarbamoyl)-2-phenylacetamide?
(2R)-2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-(methylcarbamoyl)-2-phenylacetamide has a molecular weight of 355.39 g/mol, XLogP of 2.04, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-(methylcarbamoyl)-2-phenylacetamide is sourced from PubChem (CID 26650360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).