N-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)ethyl]-3-(2-methylpropanoylamino)benzamide

C21H24N2O4 — CID 131910859

IUPACN-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)ethyl]-3-(2-methylpropanoylamino)benzamide
SMILESCC(C)C(=O)Nc1cccc(C(=O)NCCC2COc3ccccc3O2)c1
InChIInChI=1S/C21H24N2O4/c1-14(2)20(24)23-16-7-5-6-15(12-16)21(25)22-11-10-17-13-26-18-8-3-4-9-19(18)27-17/h3-9,12,14,17H,10-11,13H2,1-2H3,(H,22,25)(H,23,24)
InChIKeyXBEVPLLKHZFOKU-UHFFFAOYSA-N
MW368.43 g/mol
LogP3.24
Rot. Bonds6

About N-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)ethyl]-3-(2-methylpropanoylamino)benzamide

N-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)ethyl]-3-(2-methylpropanoylamino)benzamide (PubChem CID 131910859) has the molecular formula C21H24N2O4 and a molecular weight of 368.43 g/mol. Its IUPAC name is N-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)ethyl]-3-(2-methylpropanoylamino)benzamide.

Molecular Properties

Compound NameN-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)ethyl]-3-(2-methylpropanoylamino)benzamide
PubChem CID131910859
Molecular FormulaC21H24N2O4
Molecular Weight368.43 g/mol
Exact Mass368.17
IUPAC NameN-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)ethyl]-3-(2-methylpropanoylamino)benzamide
SMILESCC(C)C(=O)Nc1cccc(C(=O)NCCC2COc3ccccc3O2)c1
InChIInChI=1S/C21H24N2O4/c1-14(2)20(24)23-16-7-5-6-15(12-16)21(25)22-11-10-17-13-26-18-8-3-4-9-19(18)27-17/h3-9,12,14,17H,10-11,13H2,1-2H3,(H,22,25)(H,23,24)
InChIKeyXBEVPLLKHZFOKU-UHFFFAOYSA-N
XLogP3.24
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)ethyl]-3-(3-hydroxy-3-methylbut-1-ynyl)benzamide
CID 50961798
N-[2-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]ethyl]-1-methylindole-6-carboxamide
CID 97275321
N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-methylbenzamide
CID 7758589
N-(1,3-benzodioxol-5-yl)-3-(2-methylpropanoylamino)benzamide
CID 649011
3-(2-methylpropanoylamino)-N-(2-morpholin-4-ylethyl)benzamide
CID 4051447
N-[2-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]ethyl]-4-(3-hydroxy-3-methylbutyl)benzamide
CID 95863158
N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3,4-dimethylbenzamide
CID 40551299
N-[2-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]ethyl]-6-(3-fluorophenyl)pyridine-3-carboxamide
CID 95228341
4-chloro-N-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)ethyl]-2-methoxybenzamide
CID 86284070
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-fluorobenzamide
CID 42908439
3-acetamido-N-[2-(oxolan-2-yl)ethyl]benzamide
CID 110745062
N-[2-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]ethyl]-N'-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]oxamide
CID 7241999

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)ethyl]-3-(2-methylpropanoylamino)benzamide?
The IUPAC name of N-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)ethyl]-3-(2-methylpropanoylamino)benzamide (CID 131910859) is N-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)ethyl]-3-(2-methylpropanoylamino)benzamide.
What is the SMILES notation for N-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)ethyl]-3-(2-methylpropanoylamino)benzamide?
The canonical SMILES for N-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)ethyl]-3-(2-methylpropanoylamino)benzamide is CC(C)C(=O)Nc1cccc(C(=O)NCCC2COc3ccccc3O2)c1.
What is the InChIKey of N-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)ethyl]-3-(2-methylpropanoylamino)benzamide?
The InChIKey is XBEVPLLKHZFOKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O4/c1-14(2)20(24)23-16-7-5-6-15(12-16)21(25)22-11-10-17-13-26-18-8-3-4-9-19(18)27-17/h3-9,12,14,17H,10-11,13H2,1-2H3,(H,22,25)(H,23,24).
What are the key properties of N-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)ethyl]-3-(2-methylpropanoylamino)benzamide?
N-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)ethyl]-3-(2-methylpropanoylamino)benzamide has a molecular weight of 368.43 g/mol, XLogP of 3.24, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)ethyl]-3-(2-methylpropanoylamino)benzamide is sourced from PubChem (CID 131910859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).