3-[[2-[1,3-benzodioxol-5-ylmethyl(ethyl)amino]acetyl]amino]-N,N-diethylbenzamide

C23H29N3O4 — CID 46458841

IUPAC3-[[2-[1,3-benzodioxol-5-ylmethyl(ethyl)amino]acetyl]amino]-N,N-diethylbenzamide
SMILESCCN(CC(=O)Nc1cccc(C(=O)N(CC)CC)c1)Cc1ccc2c(c1)OCO2
InChIInChI=1S/C23H29N3O4/c1-4-25(14-17-10-11-20-21(12-17)30-16-29-20)15-22(27)24-19-9-7-8-18(13-19)23(28)26(5-2)6-3/h7-13H,4-6,14-16H2,1-3H3,(H,24,27)
InChIKeyAUYAUVZZJMKUFH-UHFFFAOYSA-N
MW411.50 g/mol
LogP3.36
Rot. Bonds9

About 3-[[2-[1,3-benzodioxol-5-ylmethyl(ethyl)amino]acetyl]amino]-N,N-diethylbenzamide

3-[[2-[1,3-benzodioxol-5-ylmethyl(ethyl)amino]acetyl]amino]-N,N-diethylbenzamide (PubChem CID 46458841) has the molecular formula C23H29N3O4 and a molecular weight of 411.50 g/mol. Its IUPAC name is 3-[[2-[1,3-benzodioxol-5-ylmethyl(ethyl)amino]acetyl]amino]-N,N-diethylbenzamide.

Molecular Properties

Compound Name3-[[2-[1,3-benzodioxol-5-ylmethyl(ethyl)amino]acetyl]amino]-N,N-diethylbenzamide
PubChem CID46458841
Molecular FormulaC23H29N3O4
Molecular Weight411.50 g/mol
Exact Mass411.22
IUPAC Name3-[[2-[1,3-benzodioxol-5-ylmethyl(ethyl)amino]acetyl]amino]-N,N-diethylbenzamide
SMILESCCN(CC(=O)Nc1cccc(C(=O)N(CC)CC)c1)Cc1ccc2c(c1)OCO2
InChIInChI=1S/C23H29N3O4/c1-4-25(14-17-10-11-20-21(12-17)30-16-29-20)15-22(27)24-19-9-7-8-18(13-19)23(28)26(5-2)6-3/h7-13H,4-6,14-16H2,1-3H3,(H,24,27)
InChIKeyAUYAUVZZJMKUFH-UHFFFAOYSA-N
XLogP3.36
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.50
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[[2-[1,3-benzodioxol-5-ylmethyl(ethyl)amino]acetyl]amino]-N,N-diethylbenzamide with MolForge

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Related Compounds

N,N-diethyl-3-[[2-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]acetyl]amino]benzamide
CID 40700702
2-[1,3-benzodioxol-5-ylmethyl(ethyl)amino]-N-(3-chloro-4-cyanophenyl)acetamide
CID 16609168
3-acetamido-N-(1,3-benzodioxol-5-ylmethyl)-N-methylbenzamide
CID 51190200
N-(1,3-benzodioxol-5-ylmethyl)-N-ethylbenzamide
CID 60655508
3-[[4-(diethylaminomethyl)benzoyl]amino]-N,N-diethylbenzamide
CID 55645545
N-(1,3-benzodioxol-5-ylmethyl)-3-(carbamoylamino)-N-methylbenzamide
CID 26444164
N-(1,3-benzodioxol-5-yl)-2-[(4-ethoxy-3-methoxyphenyl)methyl-ethylamino]acetamide
CID 16620402
2-[1,3-benzodioxol-5-ylmethyl(ethyl)amino]-N-(5-chloro-2-fluorophenyl)acetamide
CID 46508552
N-[3-[1,3-benzodioxol-5-ylmethyl(methyl)carbamoyl]phenyl]furan-2-carboxamide
CID 55822667
N-[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl]-N-methylfuran-2-carboxamide
CID 55535244
2-[1,3-benzodioxol-5-ylmethyl(ethyl)amino]-N-(2-phenylpropyl)acetamide
CID 18144830
2-[1,3-benzodioxol-5-ylmethyl(ethyl)amino]-N-cycloheptylacetamide
CID 51260808

Frequently Asked Questions

What is the IUPAC name of 3-[[2-[1,3-benzodioxol-5-ylmethyl(ethyl)amino]acetyl]amino]-N,N-diethylbenzamide?
The IUPAC name of 3-[[2-[1,3-benzodioxol-5-ylmethyl(ethyl)amino]acetyl]amino]-N,N-diethylbenzamide (CID 46458841) is 3-[[2-[1,3-benzodioxol-5-ylmethyl(ethyl)amino]acetyl]amino]-N,N-diethylbenzamide.
What is the SMILES notation for 3-[[2-[1,3-benzodioxol-5-ylmethyl(ethyl)amino]acetyl]amino]-N,N-diethylbenzamide?
The canonical SMILES for 3-[[2-[1,3-benzodioxol-5-ylmethyl(ethyl)amino]acetyl]amino]-N,N-diethylbenzamide is CCN(CC(=O)Nc1cccc(C(=O)N(CC)CC)c1)Cc1ccc2c(c1)OCO2.
What is the InChIKey of 3-[[2-[1,3-benzodioxol-5-ylmethyl(ethyl)amino]acetyl]amino]-N,N-diethylbenzamide?
The InChIKey is AUYAUVZZJMKUFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O4/c1-4-25(14-17-10-11-20-21(12-17)30-16-29-20)15-22(27)24-19-9-7-8-18(13-19)23(28)26(5-2)6-3/h7-13H,4-6,14-16H2,1-3H3,(H,24,27).
What are the key properties of 3-[[2-[1,3-benzodioxol-5-ylmethyl(ethyl)amino]acetyl]amino]-N,N-diethylbenzamide?
3-[[2-[1,3-benzodioxol-5-ylmethyl(ethyl)amino]acetyl]amino]-N,N-diethylbenzamide has a molecular weight of 411.50 g/mol, XLogP of 3.36, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-[1,3-benzodioxol-5-ylmethyl(ethyl)amino]acetyl]amino]-N,N-diethylbenzamide is sourced from PubChem (CID 46458841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).