N-(3-acetamidophenyl)-3-cyclopropyl-3-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide

C22H24N2O4 — CID 110297543

IUPACN-(3-acetamidophenyl)-3-cyclopropyl-3-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide
SMILESCC(=O)Nc1cccc(NC(=O)CC(c2ccc3c(c2)OCCO3)C2CC2)c1
InChIInChI=1S/C22H24N2O4/c1-14(25)23-17-3-2-4-18(12-17)24-22(26)13-19(15-5-6-15)16-7-8-20-21(11-16)28-10-9-27-20/h2-4,7-8,11-12,15,19H,5-6,9-10,13H2,1H3,(H,23,25)(H,24,26)
InChIKeyZXVJCSRKXFIFSN-UHFFFAOYSA-N
MW380.44 g/mol
LogP3.94
Rot. Bonds6

About N-(3-acetamidophenyl)-3-cyclopropyl-3-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide

N-(3-acetamidophenyl)-3-cyclopropyl-3-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide (PubChem CID 110297543) has the molecular formula C22H24N2O4 and a molecular weight of 380.44 g/mol. Its IUPAC name is N-(3-acetamidophenyl)-3-cyclopropyl-3-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide.

Molecular Properties

Compound NameN-(3-acetamidophenyl)-3-cyclopropyl-3-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide
PubChem CID110297543
Molecular FormulaC22H24N2O4
Molecular Weight380.44 g/mol
Exact Mass380.17
IUPAC NameN-(3-acetamidophenyl)-3-cyclopropyl-3-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide
SMILESCC(=O)Nc1cccc(NC(=O)CC(c2ccc3c(c2)OCCO3)C2CC2)c1
InChIInChI=1S/C22H24N2O4/c1-14(25)23-17-3-2-4-18(12-17)24-22(26)13-19(15-5-6-15)16-7-8-20-21(11-16)28-10-9-27-20/h2-4,7-8,11-12,15,19H,5-6,9-10,13H2,1H3,(H,23,25)(H,24,26)
InChIKeyZXVJCSRKXFIFSN-UHFFFAOYSA-N
XLogP3.94
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.44
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-cyclopropyl-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(dimethylamino)ethyl]propanamide
CID 110297488
N-(3-bromophenyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)butanamide
CID 110374384
N-(4-acetamidophenyl)-3-cyclopropyl-3-(3,4-dimethylphenyl)propanamide
CID 110423890
N-[(4-chlorophenyl)methyl]-3-cyclopropyl-3-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide
CID 110297500
methyl 3-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)butanoylamino]benzoate
CID 110374375
N-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]-3-cyclopropyl-3-(3,4-dimethylphenyl)propanamide
CID 110606301
N-(3-cyanophenyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methylpentanamide
CID 110374464
N-(3-acetamidophenyl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)acetamide
CID 7652551
1-N-(3-acetamidophenyl)-2-N-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropane-1,2-dicarboxamide
CID 109143830
ethyl 4-[3-cyclopropyl-3-(2,3-dihydro-1,4-benzodioxin-6-yl)propanoyl]piperazine-1-carboxylate
CID 110297519
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-phenylbutanamide
CID 2948413
N'-(3-acetylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanediamide
CID 108956149

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamidophenyl)-3-cyclopropyl-3-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide?
The IUPAC name of N-(3-acetamidophenyl)-3-cyclopropyl-3-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide (CID 110297543) is N-(3-acetamidophenyl)-3-cyclopropyl-3-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide.
What is the SMILES notation for N-(3-acetamidophenyl)-3-cyclopropyl-3-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide?
The canonical SMILES for N-(3-acetamidophenyl)-3-cyclopropyl-3-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide is CC(=O)Nc1cccc(NC(=O)CC(c2ccc3c(c2)OCCO3)C2CC2)c1.
What is the InChIKey of N-(3-acetamidophenyl)-3-cyclopropyl-3-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide?
The InChIKey is ZXVJCSRKXFIFSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O4/c1-14(25)23-17-3-2-4-18(12-17)24-22(26)13-19(15-5-6-15)16-7-8-20-21(11-16)28-10-9-27-20/h2-4,7-8,11-12,15,19H,5-6,9-10,13H2,1H3,(H,23,25)(H,24,26).
What are the key properties of N-(3-acetamidophenyl)-3-cyclopropyl-3-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide?
N-(3-acetamidophenyl)-3-cyclopropyl-3-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide has a molecular weight of 380.44 g/mol, XLogP of 3.94, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamidophenyl)-3-cyclopropyl-3-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide is sourced from PubChem (CID 110297543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).