2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-phenyl-N-propan-2-ylacetamide

C20H24N2O3 — CID 26547868

IUPAC2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-phenyl-N-propan-2-ylacetamide
SMILESCC(C)N(C(=O)CN(C)Cc1ccc2c(c1)OCO2)c1ccccc1
InChIInChI=1S/C20H24N2O3/c1-15(2)22(17-7-5-4-6-8-17)20(23)13-21(3)12-16-9-10-18-19(11-16)25-14-24-18/h4-11,15H,12-14H2,1-3H3
InChIKeyHPRFHSVUVNRCNK-UHFFFAOYSA-N
MW340.42 g/mol
LogP3.29
Rot. Bonds6

About 2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-phenyl-N-propan-2-ylacetamide

2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-phenyl-N-propan-2-ylacetamide (PubChem CID 26547868) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is 2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-phenyl-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-phenyl-N-propan-2-ylacetamide
PubChem CID26547868
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Name2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-phenyl-N-propan-2-ylacetamide
SMILESCC(C)N(C(=O)CN(C)Cc1ccc2c(c1)OCO2)c1ccccc1
InChIInChI=1S/C20H24N2O3/c1-15(2)22(17-7-5-4-6-8-17)20(23)13-21(3)12-16-9-10-18-19(11-16)25-14-24-18/h4-11,15H,12-14H2,1-3H3
InChIKeyHPRFHSVUVNRCNK-UHFFFAOYSA-N
XLogP3.29
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-cyclohexyl-N-phenylacetamide
CID 8748303
2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-phenyl-N-propan-2-ylacetamide
CID 8531578
2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-N-phenyl-N-propan-2-ylacetamide
CID 55356680
[1,3-benzodioxol-5-ylmethyl(methyl)amino]methanol
CID 115229115
2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-(2-phenylethyl)acetamide
CID 8924126
2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-(2-benzylphenyl)acetamide
CID 8746784
2-[1,3-benzodioxol-5-ylmethyl(methylsulfonyl)amino]-N-benzyl-N-methylacetamide
CID 113151369
2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-[(S)-phenyl(thiophen-2-yl)methyl]acetamide
CID 8924830
2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-(4-phenoxyphenyl)acetamide
CID 8746165
N-(1,3-benzodioxol-5-ylmethyl)-N-ethylbenzamide
CID 60655508
3-amino-4-[1,3-benzodioxol-5-ylmethyl(methyl)amino]butanoic acid
CID 115241750
4-amino-N-(1,3-benzodioxol-5-ylmethyl)-N-methylpentanamide;hydrochloride
CID 120559274

Frequently Asked Questions

What is the IUPAC name of 2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-phenyl-N-propan-2-ylacetamide?
The IUPAC name of 2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-phenyl-N-propan-2-ylacetamide (CID 26547868) is 2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-phenyl-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-phenyl-N-propan-2-ylacetamide?
The canonical SMILES for 2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-phenyl-N-propan-2-ylacetamide is CC(C)N(C(=O)CN(C)Cc1ccc2c(c1)OCO2)c1ccccc1.
What is the InChIKey of 2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-phenyl-N-propan-2-ylacetamide?
The InChIKey is HPRFHSVUVNRCNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-15(2)22(17-7-5-4-6-8-17)20(23)13-21(3)12-16-9-10-18-19(11-16)25-14-24-18/h4-11,15H,12-14H2,1-3H3.
What are the key properties of 2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-phenyl-N-propan-2-ylacetamide?
2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-phenyl-N-propan-2-ylacetamide has a molecular weight of 340.42 g/mol, XLogP of 3.29, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-phenyl-N-propan-2-ylacetamide is sourced from PubChem (CID 26547868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).