N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-ethylbutanoylamino)benzamide

C21H24N2O4 — CID 2218416

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-ethylbutanoylamino)benzamide
SMILESCCC(CC)C(=O)Nc1cccc(C(=O)Nc2ccc3c(c2)OCCO3)c1
InChIInChI=1S/C21H24N2O4/c1-3-14(4-2)20(24)22-16-7-5-6-15(12-16)21(25)23-17-8-9-18-19(13-17)27-11-10-26-18/h5-9,12-14H,3-4,10-11H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyLRBXNYPIZMOSOH-UHFFFAOYSA-N
MW368.43 g/mol
LogP4.08
Rot. Bonds6

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-ethylbutanoylamino)benzamide

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-ethylbutanoylamino)benzamide (PubChem CID 2218416) has the molecular formula C21H24N2O4 and a molecular weight of 368.43 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-ethylbutanoylamino)benzamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-ethylbutanoylamino)benzamide
PubChem CID2218416
Molecular FormulaC21H24N2O4
Molecular Weight368.43 g/mol
Exact Mass368.17
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-ethylbutanoylamino)benzamide
SMILESCCC(CC)C(=O)Nc1cccc(C(=O)Nc2ccc3c(c2)OCCO3)c1
InChIInChI=1S/C21H24N2O4/c1-3-14(4-2)20(24)22-16-7-5-6-15(12-16)21(25)23-17-8-9-18-19(13-17)27-11-10-26-18/h5-9,12-14H,3-4,10-11H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyLRBXNYPIZMOSOH-UHFFFAOYSA-N
XLogP4.08
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 ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,3-benzodioxol-5-yl)-3-(2-methylpropanoylamino)benzamide
CID 649011
3-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-N-(3-methylphenyl)benzene-1,3-dicarboxamide
CID 109056943
N-(4-bromophenyl)-3-(2-ethylbutanoylamino)benzamide
CID 1241654
3-bromo-N-[4-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)phenyl]benzamide
CID 2220429
3-(chloromethyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide
CID 43333468
N'-(3-acetylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanediamide
CID 108956149
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-(dimethylamino)benzamide
CID 26070602
4-N-butan-2-yl-1-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzene-1,4-dicarboxamide
CID 109044179
3-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-N-(2-methoxyethyl)benzene-1,3-dicarboxamide
CID 109052638
(2S)-2-amino-N-(2,3-dihydro-1,4-benzodioxin-6-yl)butanamide;hydrochloride
CID 119261511
N-[3-(4-tert-butylbenzoyl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 100617026
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[[6-(4-methylphenyl)pyridazin-3-yl]amino]benzamide
CID 50778639

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-ethylbutanoylamino)benzamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-ethylbutanoylamino)benzamide (CID 2218416) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-ethylbutanoylamino)benzamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-ethylbutanoylamino)benzamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-ethylbutanoylamino)benzamide is CCC(CC)C(=O)Nc1cccc(C(=O)Nc2ccc3c(c2)OCCO3)c1.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-ethylbutanoylamino)benzamide?
The InChIKey is LRBXNYPIZMOSOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O4/c1-3-14(4-2)20(24)22-16-7-5-6-15(12-16)21(25)23-17-8-9-18-19(13-17)27-11-10-26-18/h5-9,12-14H,3-4,10-11H2,1-2H3,(H,22,24)(H,23,25).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-ethylbutanoylamino)benzamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-ethylbutanoylamino)benzamide has a molecular weight of 368.43 g/mol, XLogP of 4.08, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-ethylbutanoylamino)benzamide is sourced from PubChem (CID 2218416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).