3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]propanamide

C22H28N2O4 — CID 43035568

IUPAC3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]propanamide
SMILESCOc1ccc(C(CNC(=O)CCc2ccc3c(c2)OCCO3)N(C)C)cc1
InChIInChI=1S/C22H28N2O4/c1-24(2)19(17-6-8-18(26-3)9-7-17)15-23-22(25)11-5-16-4-10-20-21(14-16)28-13-12-27-20/h4,6-10,14,19H,5,11-13,15H2,1-3H3,(H,23,25)
InChIKeyUPUAGIVHAZTNKW-UHFFFAOYSA-N
MW384.48 g/mol
LogP2.82
Rot. Bonds8

About 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]propanamide

3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]propanamide (PubChem CID 43035568) has the molecular formula C22H28N2O4 and a molecular weight of 384.48 g/mol. Its IUPAC name is 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]propanamide.

Molecular Properties

Compound Name3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]propanamide
PubChem CID43035568
Molecular FormulaC22H28N2O4
Molecular Weight384.48 g/mol
Exact Mass384.20
IUPAC Name3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]propanamide
SMILESCOc1ccc(C(CNC(=O)CCc2ccc3c(c2)OCCO3)N(C)C)cc1
InChIInChI=1S/C22H28N2O4/c1-24(2)19(17-6-8-18(26-3)9-7-17)15-23-22(25)11-5-16-4-10-20-21(14-16)28-13-12-27-20/h4,6-10,14,19H,5,11-13,15H2,1-3H3,(H,23,25)
InChIKeyUPUAGIVHAZTNKW-UHFFFAOYSA-N
XLogP2.82
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-(3-methoxyphenyl)propanamide
CID 43035256
3-(1,3-benzodioxol-5-yl)-N-[2-(dimethylamino)-2-phenylethyl]propanamide
CID 42896409
N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-[4-(methylsulfamoyl)phenyl]propanamide
CID 43017141
N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethyl]-3-(4-methoxyphenyl)propanamide
CID 86263918
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(2S)-2-phenylpropyl]propanamide
CID 31946505
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-ethylpropanamide
CID 53288864
N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-(2-hydroxyphenyl)propanamide
CID 134057068
3-acetamido-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-(4-methoxyphenyl)propanamide
CID 167944863
N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 42987404
N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-5-(4-fluorophenyl)pentanamide
CID 110302068
3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-[(2S)-2-hydroxy-2-(4-methoxyphenyl)ethyl]propanamide
CID 97227769
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(2,4,5-trimethoxyphenyl)methyl]propanamide
CID 18121490

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]propanamide?
The IUPAC name of 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]propanamide (CID 43035568) is 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]propanamide.
What is the SMILES notation for 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]propanamide?
The canonical SMILES for 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]propanamide is COc1ccc(C(CNC(=O)CCc2ccc3c(c2)OCCO3)N(C)C)cc1.
What is the InChIKey of 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]propanamide?
The InChIKey is UPUAGIVHAZTNKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O4/c1-24(2)19(17-6-8-18(26-3)9-7-17)15-23-22(25)11-5-16-4-10-20-21(14-16)28-13-12-27-20/h4,6-10,14,19H,5,11-13,15H2,1-3H3,(H,23,25).
What are the key properties of 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]propanamide?
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]propanamide has a molecular weight of 384.48 g/mol, XLogP of 2.82, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]propanamide is sourced from PubChem (CID 43035568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).