N-[2-(2,5-dimethoxyphenyl)ethyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide

C19H21NO5 — CID 110699586

IUPACN-[2-(2,5-dimethoxyphenyl)ethyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide
SMILESCOc1ccc(OC)c(CCNC(=O)c2cccc3c2OCCO3)c1
InChIInChI=1S/C19H21NO5/c1-22-14-6-7-16(23-2)13(12-14)8-9-20-19(21)15-4-3-5-17-18(15)25-11-10-24-17/h3-7,12H,8-11H2,1-2H3,(H,20,21)
InChIKeyTWXMEXSCWARHTC-UHFFFAOYSA-N
MW343.38 g/mol
LogP2.45
Rot. Bonds6

About N-[2-(2,5-dimethoxyphenyl)ethyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide

N-[2-(2,5-dimethoxyphenyl)ethyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide (PubChem CID 110699586) has the molecular formula C19H21NO5 and a molecular weight of 343.38 g/mol. Its IUPAC name is N-[2-(2,5-dimethoxyphenyl)ethyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide.

Molecular Properties

Compound NameN-[2-(2,5-dimethoxyphenyl)ethyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide
PubChem CID110699586
Molecular FormulaC19H21NO5
Molecular Weight343.38 g/mol
Exact Mass343.14
IUPAC NameN-[2-(2,5-dimethoxyphenyl)ethyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide
SMILESCOc1ccc(OC)c(CCNC(=O)c2cccc3c2OCCO3)c1
InChIInChI=1S/C19H21NO5/c1-22-14-6-7-16(23-2)13(12-14)8-9-20-19(21)15-4-3-5-17-18(15)25-11-10-24-17/h3-7,12H,8-11H2,1-2H3,(H,20,21)
InChIKeyTWXMEXSCWARHTC-UHFFFAOYSA-N
XLogP2.45
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide
CID 166191531
N-[2-(2-methylpropanoylamino)ethyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide
CID 68725763
N-[3-(methylamino)propyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide
CID 43614601
N-[2-(2,5-dimethoxyphenyl)ethyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 110700805
N-[2-(4-fluorophenyl)ethyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide
CID 52772937
4-(aminomethyl)-N-[2-(2,5-dimethoxyphenyl)ethyl]benzamide
CID 119279771
2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-[2-(2-methoxy-5-methylphenyl)ethyl]benzamide
CID 26549468
N-[2-(2,5-dimethoxyphenyl)ethyl]-1-methyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide
CID 22517002
5-chloro-N-[2-(2,5-dimethoxyphenyl)ethyl]-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene-2-carboxamide
CID 20916435
N-[2-(2,5-dimethoxyphenyl)ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 110698832
N-[2-(2-methylpropylamino)ethyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide
CID 68725764
N-[2-(2,5-dimethoxyphenyl)ethyl]cinnoline-3-carboxamide
CID 110705099

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,5-dimethoxyphenyl)ethyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide?
The IUPAC name of N-[2-(2,5-dimethoxyphenyl)ethyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide (CID 110699586) is N-[2-(2,5-dimethoxyphenyl)ethyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide.
What is the SMILES notation for N-[2-(2,5-dimethoxyphenyl)ethyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide?
The canonical SMILES for N-[2-(2,5-dimethoxyphenyl)ethyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide is COc1ccc(OC)c(CCNC(=O)c2cccc3c2OCCO3)c1.
What is the InChIKey of N-[2-(2,5-dimethoxyphenyl)ethyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide?
The InChIKey is TWXMEXSCWARHTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO5/c1-22-14-6-7-16(23-2)13(12-14)8-9-20-19(21)15-4-3-5-17-18(15)25-11-10-24-17/h3-7,12H,8-11H2,1-2H3,(H,20,21).
What are the key properties of N-[2-(2,5-dimethoxyphenyl)ethyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide?
N-[2-(2,5-dimethoxyphenyl)ethyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide has a molecular weight of 343.38 g/mol, XLogP of 2.45, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,5-dimethoxyphenyl)ethyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide is sourced from PubChem (CID 110699586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).