N-[4-[3-(1,3-benzodioxol-5-yl)propanoylamino]phenyl]-2,2-dimethylpropanamide

C21H24N2O4 — CID 24641729

IUPACN-[4-[3-(1,3-benzodioxol-5-yl)propanoylamino]phenyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1ccc(NC(=O)CCc2ccc3c(c2)OCO3)cc1
InChIInChI=1S/C21H24N2O4/c1-21(2,3)20(25)23-16-8-6-15(7-9-16)22-19(24)11-5-14-4-10-17-18(12-14)27-13-26-17/h4,6-10,12H,5,11,13H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyCGCBWHYPSZLZNW-UHFFFAOYSA-N
MW368.43 g/mol
LogP3.97
Rot. Bonds5

About N-[4-[3-(1,3-benzodioxol-5-yl)propanoylamino]phenyl]-2,2-dimethylpropanamide

N-[4-[3-(1,3-benzodioxol-5-yl)propanoylamino]phenyl]-2,2-dimethylpropanamide (PubChem CID 24641729) has the molecular formula C21H24N2O4 and a molecular weight of 368.43 g/mol. Its IUPAC name is N-[4-[3-(1,3-benzodioxol-5-yl)propanoylamino]phenyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[4-[3-(1,3-benzodioxol-5-yl)propanoylamino]phenyl]-2,2-dimethylpropanamide
PubChem CID24641729
Molecular FormulaC21H24N2O4
Molecular Weight368.43 g/mol
Exact Mass368.17
IUPAC NameN-[4-[3-(1,3-benzodioxol-5-yl)propanoylamino]phenyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1ccc(NC(=O)CCc2ccc3c(c2)OCO3)cc1
InChIInChI=1S/C21H24N2O4/c1-21(2,3)20(25)23-16-8-6-15(7-9-16)22-19(24)11-5-14-4-10-17-18(12-14)27-13-26-17/h4,6-10,12H,5,11,13H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyCGCBWHYPSZLZNW-UHFFFAOYSA-N
XLogP3.97
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1,3-benzodioxol-5-yl)-N-(4-nitrophenyl)propanamide
CID 18121776
3-(1,3-benzodioxol-5-yl)-N-[4-(4-ethylpiperazin-1-yl)phenyl]propanamide
CID 17421203
N-[3-[3-(1,3-benzodioxol-5-yl)propanoylamino]phenyl]-2-methylpropanamide
CID 55609804
N-(4-acetamidophenyl)-2-(1,3-benzodioxol-5-yl)acetamide
CID 110767424
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(4-iodophenyl)propanamide
CID 17488745
3-(4-aminophenyl)-N-(1,3-benzodioxol-5-yl)propanamide
CID 28713210
N-(2-amino-2-methylpropyl)-3-(1,3-benzodioxol-5-yl)propanamide
CID 110833221
N-(1,3-benzodioxol-5-yl)-3-phenylpropanamide
CID 785916
3-(1,3-benzodioxol-5-yl)-N-(2,6-diethylphenyl)propanamide
CID 16574716
N-(1,3-benzodioxol-5-yl)-3-pyridin-4-ylpropanamide
CID 110468454
3-(1,3-benzodioxol-5-yl)-N-(2,3-dihydroxy-2-methylpropyl)propanamide
CID 66169219
3-(1,3-benzodioxol-5-yl)-N-(1,1-diphenylethyl)propanamide
CID 56522758

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(1,3-benzodioxol-5-yl)propanoylamino]phenyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[4-[3-(1,3-benzodioxol-5-yl)propanoylamino]phenyl]-2,2-dimethylpropanamide (CID 24641729) is N-[4-[3-(1,3-benzodioxol-5-yl)propanoylamino]phenyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[4-[3-(1,3-benzodioxol-5-yl)propanoylamino]phenyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[4-[3-(1,3-benzodioxol-5-yl)propanoylamino]phenyl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)Nc1ccc(NC(=O)CCc2ccc3c(c2)OCO3)cc1.
What is the InChIKey of N-[4-[3-(1,3-benzodioxol-5-yl)propanoylamino]phenyl]-2,2-dimethylpropanamide?
The InChIKey is CGCBWHYPSZLZNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O4/c1-21(2,3)20(25)23-16-8-6-15(7-9-16)22-19(24)11-5-14-4-10-17-18(12-14)27-13-26-17/h4,6-10,12H,5,11,13H2,1-3H3,(H,22,24)(H,23,25).
What are the key properties of N-[4-[3-(1,3-benzodioxol-5-yl)propanoylamino]phenyl]-2,2-dimethylpropanamide?
N-[4-[3-(1,3-benzodioxol-5-yl)propanoylamino]phenyl]-2,2-dimethylpropanamide has a molecular weight of 368.43 g/mol, XLogP of 3.97, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(1,3-benzodioxol-5-yl)propanoylamino]phenyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 24641729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).