N-(4-acetamido-3-methylphenyl)-3-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]propanamide

C20H22N2O4 — CID 27378887

IUPACN-(4-acetamido-3-methylphenyl)-3-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]propanamide
SMILESCC(=O)Nc1ccc(NC(=O)CC[C@@H]2COc3ccccc3O2)cc1C
InChIInChI=1S/C20H22N2O4/c1-13-11-15(7-9-17(13)21-14(2)23)22-20(24)10-8-16-12-25-18-5-3-4-6-19(18)26-16/h3-7,9,11,16H,8,10,12H2,1-2H3,(H,21,23)(H,22,24)/t16-/m1/s1
InChIKeyGRPUVAURZWIPKY-MRXNPFEDSA-N
MW354.41 g/mol
LogP3.51
Rot. Bonds5

About N-(4-acetamido-3-methylphenyl)-3-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]propanamide

N-(4-acetamido-3-methylphenyl)-3-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]propanamide (PubChem CID 27378887) has the molecular formula C20H22N2O4 and a molecular weight of 354.41 g/mol. Its IUPAC name is N-(4-acetamido-3-methylphenyl)-3-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]propanamide.

Molecular Properties

Compound NameN-(4-acetamido-3-methylphenyl)-3-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]propanamide
PubChem CID27378887
Molecular FormulaC20H22N2O4
Molecular Weight354.41 g/mol
Exact Mass354.16
IUPAC NameN-(4-acetamido-3-methylphenyl)-3-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]propanamide
SMILESCC(=O)Nc1ccc(NC(=O)CC[C@@H]2COc3ccccc3O2)cc1C
InChIInChI=1S/C20H22N2O4/c1-13-11-15(7-9-17(13)21-14(2)23)22-20(24)10-8-16-12-25-18-5-3-4-6-19(18)26-16/h3-7,9,11,16H,8,10,12H2,1-2H3,(H,21,23)(H,22,24)/t16-/m1/s1
InChIKeyGRPUVAURZWIPKY-MRXNPFEDSA-N
XLogP3.51
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(4-acetamido-3-methylphenyl)-3-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]propanamide with MolForge

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Related Compounds

3-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-N-pyridin-4-ylpropanamide
CID 7392836
3-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]propanamide
CID 1251106
N-[4-[3-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]propanoylamino]phenyl]-2-fluorobenzamide
CID 1251107
N-(4-acetamido-3-methylphenyl)-3-aminopropanamide
CID 43698824
3-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)-N-(2-methylphenyl)propanamide
CID 45154761
1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-(3,4-dimethylphenyl)thiourea
CID 7944357
N-(4-bromophenyl)-2-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]acetamide
CID 845205
2-(4-acetamidophenyl)sulfanyl-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)acetamide
CID 18171468
2-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-methylamino]-N-(3-methylphenyl)acetamide
CID 40791115
N-(4-acetamido-3-methylphenyl)-5-chloropentanamide
CID 43696544
N-(3,4-dimethylphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 2788362
ethyl 4-[[2-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]acetyl]amino]benzoate
CID 975255

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamido-3-methylphenyl)-3-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]propanamide?
The IUPAC name of N-(4-acetamido-3-methylphenyl)-3-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]propanamide (CID 27378887) is N-(4-acetamido-3-methylphenyl)-3-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]propanamide.
What is the SMILES notation for N-(4-acetamido-3-methylphenyl)-3-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]propanamide?
The canonical SMILES for N-(4-acetamido-3-methylphenyl)-3-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]propanamide is CC(=O)Nc1ccc(NC(=O)CC[C@@H]2COc3ccccc3O2)cc1C.
What is the InChIKey of N-(4-acetamido-3-methylphenyl)-3-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]propanamide?
The InChIKey is GRPUVAURZWIPKY-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H22N2O4/c1-13-11-15(7-9-17(13)21-14(2)23)22-20(24)10-8-16-12-25-18-5-3-4-6-19(18)26-16/h3-7,9,11,16H,8,10,12H2,1-2H3,(H,21,23)(H,22,24)/t16-/m1/s1.
What are the key properties of N-(4-acetamido-3-methylphenyl)-3-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]propanamide?
N-(4-acetamido-3-methylphenyl)-3-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]propanamide has a molecular weight of 354.41 g/mol, XLogP of 3.51, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamido-3-methylphenyl)-3-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]propanamide is sourced from PubChem (CID 27378887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).