2-(1,3-benzodioxol-5-ylmethylamino)-N-cyclopropyl-2-phenylacetamide

C19H20N2O3 — CID 18097364

IUPAC2-(1,3-benzodioxol-5-ylmethylamino)-N-cyclopropyl-2-phenylacetamide
SMILESO=C(NC1CC1)C(NCc1ccc2c(c1)OCO2)c1ccccc1
InChIInChI=1S/C19H20N2O3/c22-19(21-15-7-8-15)18(14-4-2-1-3-5-14)20-11-13-6-9-16-17(10-13)24-12-23-16/h1-6,9-10,15,18,20H,7-8,11-12H2,(H,21,22)
InChIKeyVXOZZECSMMZLCE-UHFFFAOYSA-N
MW324.38 g/mol
LogP2.52
Rot. Bonds6

About 2-(1,3-benzodioxol-5-ylmethylamino)-N-cyclopropyl-2-phenylacetamide

2-(1,3-benzodioxol-5-ylmethylamino)-N-cyclopropyl-2-phenylacetamide (PubChem CID 18097364) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is 2-(1,3-benzodioxol-5-ylmethylamino)-N-cyclopropyl-2-phenylacetamide.

Molecular Properties

Compound Name2-(1,3-benzodioxol-5-ylmethylamino)-N-cyclopropyl-2-phenylacetamide
PubChem CID18097364
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC Name2-(1,3-benzodioxol-5-ylmethylamino)-N-cyclopropyl-2-phenylacetamide
SMILESO=C(NC1CC1)C(NCc1ccc2c(c1)OCO2)c1ccccc1
InChIInChI=1S/C19H20N2O3/c22-19(21-15-7-8-15)18(14-4-2-1-3-5-14)20-11-13-6-9-16-17(10-13)24-12-23-16/h1-6,9-10,15,18,20H,7-8,11-12H2,(H,21,22)
InChIKeyVXOZZECSMMZLCE-UHFFFAOYSA-N
XLogP2.52
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(1,3-benzodioxol-5-ylmethylamino)-2-phenylacetate
CID 82344699
(2S)-2-(1,3-benzodioxol-5-ylmethylamino)-N-(4-fluorophenyl)-2-phenylacetamide
CID 2412890
(2S)-2-(1,3-benzodioxol-5-ylmethylamino)-N-(2,5-dimethylphenyl)-2-phenylacetamide
CID 41143433
(2R)-2-(1,3-benzodioxol-5-ylmethylamino)-2-phenylethanol
CID 107862523
2-(1,3-benzodioxol-5-ylmethylamino)-2-(2-methylphenyl)acetic acid
CID 84750415
N-(1,3-benzodioxol-5-ylmethyl)-2-(1-phenylethylamino)acetamide
CID 84867168
N-cyclopropyl-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethylamino)propanamide
CID 115672887
2-(1,3-benzodioxol-5-ylmethylamino)-1-phenylpropan-1-one
CID 82100052
N-cyclopropyl-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-phenylacetamide
CID 78807692
(2S)-3-(1,3-benzodioxol-5-yl)-N-cyclohexyl-2-methylpropanamide
CID 166443374
N-(1,3-benzodioxol-5-ylmethyl)-N-[2-(cyclohexylamino)-2-oxo-1-phenylethyl]pyridine-2-carboxamide
CID 3206147
N-(1,3-benzodioxol-5-ylmethyl)-2-phenyl-2-phenylsulfanylacetamide
CID 2904025

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzodioxol-5-ylmethylamino)-N-cyclopropyl-2-phenylacetamide?
The IUPAC name of 2-(1,3-benzodioxol-5-ylmethylamino)-N-cyclopropyl-2-phenylacetamide (CID 18097364) is 2-(1,3-benzodioxol-5-ylmethylamino)-N-cyclopropyl-2-phenylacetamide.
What is the SMILES notation for 2-(1,3-benzodioxol-5-ylmethylamino)-N-cyclopropyl-2-phenylacetamide?
The canonical SMILES for 2-(1,3-benzodioxol-5-ylmethylamino)-N-cyclopropyl-2-phenylacetamide is O=C(NC1CC1)C(NCc1ccc2c(c1)OCO2)c1ccccc1.
What is the InChIKey of 2-(1,3-benzodioxol-5-ylmethylamino)-N-cyclopropyl-2-phenylacetamide?
The InChIKey is VXOZZECSMMZLCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3/c22-19(21-15-7-8-15)18(14-4-2-1-3-5-14)20-11-13-6-9-16-17(10-13)24-12-23-16/h1-6,9-10,15,18,20H,7-8,11-12H2,(H,21,22).
What are the key properties of 2-(1,3-benzodioxol-5-ylmethylamino)-N-cyclopropyl-2-phenylacetamide?
2-(1,3-benzodioxol-5-ylmethylamino)-N-cyclopropyl-2-phenylacetamide has a molecular weight of 324.38 g/mol, XLogP of 2.52, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzodioxol-5-ylmethylamino)-N-cyclopropyl-2-phenylacetamide is sourced from PubChem (CID 18097364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).