2-(1,3-benzodioxol-5-yl)-2-(diethylamino)-N-(4-propan-2-ylphenyl)acetamide

C22H28N2O3 — CID 4135044

IUPAC2-(1,3-benzodioxol-5-yl)-2-(diethylamino)-N-(4-propan-2-ylphenyl)acetamide
SMILESCCN(CC)C(C(=O)Nc1ccc(C(C)C)cc1)c1ccc2c(c1)OCO2
InChIInChI=1S/C22H28N2O3/c1-5-24(6-2)21(17-9-12-19-20(13-17)27-14-26-19)22(25)23-18-10-7-16(8-11-18)15(3)4/h7-13,15,21H,5-6,14H2,1-4H3,(H,23,25)
InChIKeyXDJPIAZHJWEVFX-UHFFFAOYSA-N
MW368.48 g/mol
LogP4.56
Rot. Bonds7

About 2-(1,3-benzodioxol-5-yl)-2-(diethylamino)-N-(4-propan-2-ylphenyl)acetamide

2-(1,3-benzodioxol-5-yl)-2-(diethylamino)-N-(4-propan-2-ylphenyl)acetamide (PubChem CID 4135044) has the molecular formula C22H28N2O3 and a molecular weight of 368.48 g/mol. Its IUPAC name is 2-(1,3-benzodioxol-5-yl)-2-(diethylamino)-N-(4-propan-2-ylphenyl)acetamide.

Molecular Properties

Compound Name2-(1,3-benzodioxol-5-yl)-2-(diethylamino)-N-(4-propan-2-ylphenyl)acetamide
PubChem CID4135044
Molecular FormulaC22H28N2O3
Molecular Weight368.48 g/mol
Exact Mass368.21
IUPAC Name2-(1,3-benzodioxol-5-yl)-2-(diethylamino)-N-(4-propan-2-ylphenyl)acetamide
SMILESCCN(CC)C(C(=O)Nc1ccc(C(C)C)cc1)c1ccc2c(c1)OCO2
InChIInChI=1S/C22H28N2O3/c1-5-24(6-2)21(17-9-12-19-20(13-17)27-14-26-19)22(25)23-18-10-7-16(8-11-18)15(3)4/h7-13,15,21H,5-6,14H2,1-4H3,(H,23,25)
InChIKeyXDJPIAZHJWEVFX-UHFFFAOYSA-N
XLogP4.56
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzodioxol-5-yl)-2-(diethylamino)-N-(4-propan-2-ylphenyl)acetamide?
The IUPAC name of 2-(1,3-benzodioxol-5-yl)-2-(diethylamino)-N-(4-propan-2-ylphenyl)acetamide (CID 4135044) is 2-(1,3-benzodioxol-5-yl)-2-(diethylamino)-N-(4-propan-2-ylphenyl)acetamide.
What is the SMILES notation for 2-(1,3-benzodioxol-5-yl)-2-(diethylamino)-N-(4-propan-2-ylphenyl)acetamide?
The canonical SMILES for 2-(1,3-benzodioxol-5-yl)-2-(diethylamino)-N-(4-propan-2-ylphenyl)acetamide is CCN(CC)C(C(=O)Nc1ccc(C(C)C)cc1)c1ccc2c(c1)OCO2.
What is the InChIKey of 2-(1,3-benzodioxol-5-yl)-2-(diethylamino)-N-(4-propan-2-ylphenyl)acetamide?
The InChIKey is XDJPIAZHJWEVFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O3/c1-5-24(6-2)21(17-9-12-19-20(13-17)27-14-26-19)22(25)23-18-10-7-16(8-11-18)15(3)4/h7-13,15,21H,5-6,14H2,1-4H3,(H,23,25).
What are the key properties of 2-(1,3-benzodioxol-5-yl)-2-(diethylamino)-N-(4-propan-2-ylphenyl)acetamide?
2-(1,3-benzodioxol-5-yl)-2-(diethylamino)-N-(4-propan-2-ylphenyl)acetamide has a molecular weight of 368.48 g/mol, XLogP of 4.56, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzodioxol-5-yl)-2-(diethylamino)-N-(4-propan-2-ylphenyl)acetamide is sourced from PubChem (CID 4135044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).