N-[2-(diethylamino)-3-phenylpropyl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide

C23H30N2O3 — CID 43067463

IUPACN-[2-(diethylamino)-3-phenylpropyl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
SMILESCCN(CC)C(CNC(=O)Cc1ccc2c(c1)OCCO2)Cc1ccccc1
InChIInChI=1S/C23H30N2O3/c1-3-25(4-2)20(14-18-8-6-5-7-9-18)17-24-23(26)16-19-10-11-21-22(15-19)28-13-12-27-21/h5-11,15,20H,3-4,12-14,16-17H2,1-2H3,(H,24,26)
InChIKeyGBNMJLSILZLRSW-UHFFFAOYSA-N
MW382.50 g/mol
LogP3.07
Rot. Bonds9

About N-[2-(diethylamino)-3-phenylpropyl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide

N-[2-(diethylamino)-3-phenylpropyl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide (PubChem CID 43067463) has the molecular formula C23H30N2O3 and a molecular weight of 382.50 g/mol. Its IUPAC name is N-[2-(diethylamino)-3-phenylpropyl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide.

Molecular Properties

Compound NameN-[2-(diethylamino)-3-phenylpropyl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
PubChem CID43067463
Molecular FormulaC23H30N2O3
Molecular Weight382.50 g/mol
Exact Mass382.23
IUPAC NameN-[2-(diethylamino)-3-phenylpropyl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
SMILESCCN(CC)C(CNC(=O)Cc1ccc2c(c1)OCCO2)Cc1ccccc1
InChIInChI=1S/C23H30N2O3/c1-3-25(4-2)20(14-18-8-6-5-7-9-18)17-24-23(26)16-19-10-11-21-22(15-19)28-13-12-27-21/h5-11,15,20H,3-4,12-14,16-17H2,1-2H3,(H,24,26)
InChIKeyGBNMJLSILZLRSW-UHFFFAOYSA-N
XLogP3.07
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.50
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(diethylamino)propyl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 110620316
1-[(2S)-2-(diethylamino)-3-phenylpropyl]-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)urea
CID 51945319
N-[2-(diethylamino)-3-phenylpropyl]-1,3-benzodioxole-4-carboxamide
CID 55835831
N-[2-(diethylamino)-3-phenylpropyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
CID 43067553
1-(1,3-benzodioxol-5-yl)-N-[2-(diethylamino)-3-phenylpropyl]-5-oxopyrrolidine-3-carboxamide
CID 43067669
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(1S)-1-phenylethyl]acetamide
CID 51606566
2-benzyl-3-[[2-(2,3-dihydro-1-benzofuran-5-yl)acetyl]amino]propanoic acid
CID 119233576
2-amino-N-[2-(diethylamino)-3-phenylpropyl]-3-phenylpropanamide
CID 119849948
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-phenoxyethyl)acetamide
CID 26903201
2-amino-N-[2-(diethylamino)-3-phenylpropyl]benzamide
CID 119946555
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(3-hydroxypropyl)acetamide
CID 92670427
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-prop-2-ynylacetamide
CID 18109939

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)-3-phenylpropyl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide?
The IUPAC name of N-[2-(diethylamino)-3-phenylpropyl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide (CID 43067463) is N-[2-(diethylamino)-3-phenylpropyl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide.
What is the SMILES notation for N-[2-(diethylamino)-3-phenylpropyl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide?
The canonical SMILES for N-[2-(diethylamino)-3-phenylpropyl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide is CCN(CC)C(CNC(=O)Cc1ccc2c(c1)OCCO2)Cc1ccccc1.
What is the InChIKey of N-[2-(diethylamino)-3-phenylpropyl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide?
The InChIKey is GBNMJLSILZLRSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O3/c1-3-25(4-2)20(14-18-8-6-5-7-9-18)17-24-23(26)16-19-10-11-21-22(15-19)28-13-12-27-21/h5-11,15,20H,3-4,12-14,16-17H2,1-2H3,(H,24,26).
What are the key properties of N-[2-(diethylamino)-3-phenylpropyl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide?
N-[2-(diethylamino)-3-phenylpropyl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide has a molecular weight of 382.50 g/mol, XLogP of 3.07, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)-3-phenylpropyl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide is sourced from PubChem (CID 43067463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).