4-(diethylaminomethyl)-N-(2,2-dimethyl-1,3-benzodioxol-5-yl)benzamide

C21H26N2O3 — CID 55799960

IUPAC4-(diethylaminomethyl)-N-(2,2-dimethyl-1,3-benzodioxol-5-yl)benzamide
SMILESCCN(CC)Cc1ccc(C(=O)Nc2ccc3c(c2)OC(C)(C)O3)cc1
InChIInChI=1S/C21H26N2O3/c1-5-23(6-2)14-15-7-9-16(10-8-15)20(24)22-17-11-12-18-19(13-17)26-21(3,4)25-18/h7-13H,5-6,14H2,1-4H3,(H,22,24)
InChIKeyDQUDWQHKKNQDCY-UHFFFAOYSA-N
MW354.45 g/mol
LogP4.29
Rot. Bonds6

About 4-(diethylaminomethyl)-N-(2,2-dimethyl-1,3-benzodioxol-5-yl)benzamide

4-(diethylaminomethyl)-N-(2,2-dimethyl-1,3-benzodioxol-5-yl)benzamide (PubChem CID 55799960) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is 4-(diethylaminomethyl)-N-(2,2-dimethyl-1,3-benzodioxol-5-yl)benzamide.

Molecular Properties

Compound Name4-(diethylaminomethyl)-N-(2,2-dimethyl-1,3-benzodioxol-5-yl)benzamide
PubChem CID55799960
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC Name4-(diethylaminomethyl)-N-(2,2-dimethyl-1,3-benzodioxol-5-yl)benzamide
SMILESCCN(CC)Cc1ccc(C(=O)Nc2ccc3c(c2)OC(C)(C)O3)cc1
InChIInChI=1S/C21H26N2O3/c1-5-23(6-2)14-15-7-9-16(10-8-15)20(24)22-17-11-12-18-19(13-17)26-21(3,4)25-18/h7-13H,5-6,14H2,1-4H3,(H,22,24)
InChIKeyDQUDWQHKKNQDCY-UHFFFAOYSA-N
XLogP4.29
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-benzoyl-N-(2,2-dimethyl-1,3-benzodioxol-5-yl)benzamide
CID 1327317
N-(2,2-dimethyl-1,3-benzodioxol-5-yl)-3,4,5-triethoxybenzamide
CID 55727633
N-(3-chlorophenyl)-4-(diethylaminomethyl)benzamide
CID 46435319
3-(2,2-dimethyl-1,3-benzodioxol-5-yl)-1,1-diethylurea
CID 47223959
3-[[4-(diethylaminomethyl)benzoyl]amino]-N,N-diethylbenzamide
CID 55645545
4-(diethylaminomethyl)-N-(3-ethynylphenyl)benzamide
CID 46426668
4-(methoxymethyl)-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylbenzamide
CID 42280468
2-chloro-N-(2,2-dimethyl-1,3-benzodioxol-5-yl)pyridine-4-carboxamide
CID 60776316
N-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-sulfanylbenzamide
CID 107020546
N-(2,2-dimethyl-1,3-benzodioxol-5-yl)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide
CID 55728150
4-(diethylaminomethyl)-N-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)phenyl]benzamide
CID 55649769
N-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-methylsulfonylbenzamide
CID 26954321

Frequently Asked Questions

What is the IUPAC name of 4-(diethylaminomethyl)-N-(2,2-dimethyl-1,3-benzodioxol-5-yl)benzamide?
The IUPAC name of 4-(diethylaminomethyl)-N-(2,2-dimethyl-1,3-benzodioxol-5-yl)benzamide (CID 55799960) is 4-(diethylaminomethyl)-N-(2,2-dimethyl-1,3-benzodioxol-5-yl)benzamide.
What is the SMILES notation for 4-(diethylaminomethyl)-N-(2,2-dimethyl-1,3-benzodioxol-5-yl)benzamide?
The canonical SMILES for 4-(diethylaminomethyl)-N-(2,2-dimethyl-1,3-benzodioxol-5-yl)benzamide is CCN(CC)Cc1ccc(C(=O)Nc2ccc3c(c2)OC(C)(C)O3)cc1.
What is the InChIKey of 4-(diethylaminomethyl)-N-(2,2-dimethyl-1,3-benzodioxol-5-yl)benzamide?
The InChIKey is DQUDWQHKKNQDCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-5-23(6-2)14-15-7-9-16(10-8-15)20(24)22-17-11-12-18-19(13-17)26-21(3,4)25-18/h7-13H,5-6,14H2,1-4H3,(H,22,24).
What are the key properties of 4-(diethylaminomethyl)-N-(2,2-dimethyl-1,3-benzodioxol-5-yl)benzamide?
4-(diethylaminomethyl)-N-(2,2-dimethyl-1,3-benzodioxol-5-yl)benzamide has a molecular weight of 354.45 g/mol, XLogP of 4.29, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(diethylaminomethyl)-N-(2,2-dimethyl-1,3-benzodioxol-5-yl)benzamide is sourced from PubChem (CID 55799960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).