4-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropanoyl]amino]-N,N-diethylbenzamide

C23H28N2O4 — CID 52795032

IUPAC4-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropanoyl]amino]-N,N-diethylbenzamide
SMILESCCN(CC)C(=O)c1ccc(NC(=O)C(C)(C)c2ccc3c(c2)OCCO3)cc1
InChIInChI=1S/C23H28N2O4/c1-5-25(6-2)21(26)16-7-10-18(11-8-16)24-22(27)23(3,4)17-9-12-19-20(15-17)29-14-13-28-19/h7-12,15H,5-6,13-14H2,1-4H3,(H,24,27)
InChIKeyKIASOODFCZANRQ-UHFFFAOYSA-N
MW396.49 g/mol
LogP3.86
Rot. Bonds6

About 4-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropanoyl]amino]-N,N-diethylbenzamide

4-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropanoyl]amino]-N,N-diethylbenzamide (PubChem CID 52795032) has the molecular formula C23H28N2O4 and a molecular weight of 396.49 g/mol. Its IUPAC name is 4-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropanoyl]amino]-N,N-diethylbenzamide.

Molecular Properties

Compound Name4-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropanoyl]amino]-N,N-diethylbenzamide
PubChem CID52795032
Molecular FormulaC23H28N2O4
Molecular Weight396.49 g/mol
Exact Mass396.20
IUPAC Name4-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropanoyl]amino]-N,N-diethylbenzamide
SMILESCCN(CC)C(=O)c1ccc(NC(=O)C(C)(C)c2ccc3c(c2)OCCO3)cc1
InChIInChI=1S/C23H28N2O4/c1-5-25(6-2)21(26)16-7-10-18(11-8-16)24-22(27)23(3,4)17-9-12-19-20(15-17)29-14-13-28-19/h7-12,15H,5-6,13-14H2,1-4H3,(H,24,27)
InChIKeyKIASOODFCZANRQ-UHFFFAOYSA-N
XLogP3.86
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-N-phenylpropanamide
CID 52794866
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 113197977
N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N,N-diethyl-2,2-dimethylpropanediamide
CID 108965769
N-(6-amino-3-pyridinyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropanamide
CID 119515043
4-[(3-chloro-2,2-dimethylpropanoyl)amino]-N,N-diethylbenzamide
CID 63678628
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(ethylamino)ethyl]-2-methylpropanamide
CID 119504951
N-(3-chloro-4-methoxyphenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropanamide
CID 52794943
N-[4-[5-(aminomethyl)-1H-1,2,4-triazol-3-yl]phenyl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropanamide;hydrochloride
CID 120566384
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2,6-dimethylphenyl)-2-methylpropanamide
CID 113197945
4-[(2-amino-2-methylbutanoyl)amino]-N,N-diethylbenzamide
CID 79792462
methyl 4-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-ethylcarbamoyl]benzoate
CID 27833410
N-(2-chlorophenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropanamide
CID 113197955

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropanoyl]amino]-N,N-diethylbenzamide?
The IUPAC name of 4-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropanoyl]amino]-N,N-diethylbenzamide (CID 52795032) is 4-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropanoyl]amino]-N,N-diethylbenzamide.
What is the SMILES notation for 4-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropanoyl]amino]-N,N-diethylbenzamide?
The canonical SMILES for 4-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropanoyl]amino]-N,N-diethylbenzamide is CCN(CC)C(=O)c1ccc(NC(=O)C(C)(C)c2ccc3c(c2)OCCO3)cc1.
What is the InChIKey of 4-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropanoyl]amino]-N,N-diethylbenzamide?
The InChIKey is KIASOODFCZANRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O4/c1-5-25(6-2)21(26)16-7-10-18(11-8-16)24-22(27)23(3,4)17-9-12-19-20(15-17)29-14-13-28-19/h7-12,15H,5-6,13-14H2,1-4H3,(H,24,27).
What are the key properties of 4-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropanoyl]amino]-N,N-diethylbenzamide?
4-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropanoyl]amino]-N,N-diethylbenzamide has a molecular weight of 396.49 g/mol, XLogP of 3.86, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropanoyl]amino]-N,N-diethylbenzamide is sourced from PubChem (CID 52795032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).