2-(3,4-dihydro-1H-isochromen-4-ylamino)-N-ethyl-N-methylacetamide

C14H20N2O2 — CID 114132346

IUPAC2-(3,4-dihydro-1H-isochromen-4-ylamino)-N-ethyl-N-methylacetamide
SMILESCCN(C)C(=O)CNC1COCc2ccccc21
InChIInChI=1S/C14H20N2O2/c1-3-16(2)14(17)8-15-13-10-18-9-11-6-4-5-7-12(11)13/h4-7,13,15H,3,8-10H2,1-2H3
InChIKeyDHYOORHDTMZCCH-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.33
Rot. Bonds4

About 2-(3,4-dihydro-1H-isochromen-4-ylamino)-N-ethyl-N-methylacetamide

2-(3,4-dihydro-1H-isochromen-4-ylamino)-N-ethyl-N-methylacetamide (PubChem CID 114132346) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 2-(3,4-dihydro-1H-isochromen-4-ylamino)-N-ethyl-N-methylacetamide.

Molecular Properties

Compound Name2-(3,4-dihydro-1H-isochromen-4-ylamino)-N-ethyl-N-methylacetamide
PubChem CID114132346
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name2-(3,4-dihydro-1H-isochromen-4-ylamino)-N-ethyl-N-methylacetamide
SMILESCCN(C)C(=O)CNC1COCc2ccccc21
InChIInChI=1S/C14H20N2O2/c1-3-16(2)14(17)8-15-13-10-18-9-11-6-4-5-7-12(11)13/h4-7,13,15H,3,8-10H2,1-2H3
InChIKeyDHYOORHDTMZCCH-UHFFFAOYSA-N
XLogP1.33
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-2-(3,4-dihydro-1H-isochromen-4-ylamino)acetamide
CID 107148977
2-(3,4-dihydro-1H-isochromen-4-ylamino)-1-piperidin-1-ylethanone
CID 107149625
3-(3,4-dihydro-1H-isochromen-4-ylamino)propanamide
CID 107148972
4-(3,4-dihydro-1H-isochromen-4-ylamino)butanoic acid
CID 107149158
N-ethyl-2-[(5-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]-N-methylacetamide
CID 107808804
1-(3,4-dihydro-1H-isochromen-4-ylamino)-3-ethylpentan-2-ol
CID 106284691
2-[(1,1-dioxo-3,4-dihydro-2H-thiochromen-4-yl)amino]-N-ethyl-N-methylacetamide
CID 104926644
N-ethyl-N-methyl-2-(13-tricyclo[8.2.1.03,8]trideca-3,5,7-trienylamino)acetamide
CID 107851708
2-(2,3-dihydro-1H-inden-1-ylamino)-N,N-dimethylacetamide
CID 43215159
N-cyclopropyl-N-ethyl-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)acetamide
CID 61487918
5-(3,4-dihydro-1H-isochromen-4-ylamino)-4,4-dimethylpentan-1-ol
CID 106144670
3-(3,4-dihydro-1H-isochromen-4-ylamino)-1-piperidin-1-ylpropan-1-one
CID 107149638

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-1H-isochromen-4-ylamino)-N-ethyl-N-methylacetamide?
The IUPAC name of 2-(3,4-dihydro-1H-isochromen-4-ylamino)-N-ethyl-N-methylacetamide (CID 114132346) is 2-(3,4-dihydro-1H-isochromen-4-ylamino)-N-ethyl-N-methylacetamide.
What is the SMILES notation for 2-(3,4-dihydro-1H-isochromen-4-ylamino)-N-ethyl-N-methylacetamide?
The canonical SMILES for 2-(3,4-dihydro-1H-isochromen-4-ylamino)-N-ethyl-N-methylacetamide is CCN(C)C(=O)CNC1COCc2ccccc21.
What is the InChIKey of 2-(3,4-dihydro-1H-isochromen-4-ylamino)-N-ethyl-N-methylacetamide?
The InChIKey is DHYOORHDTMZCCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-3-16(2)14(17)8-15-13-10-18-9-11-6-4-5-7-12(11)13/h4-7,13,15H,3,8-10H2,1-2H3.
What are the key properties of 2-(3,4-dihydro-1H-isochromen-4-ylamino)-N-ethyl-N-methylacetamide?
2-(3,4-dihydro-1H-isochromen-4-ylamino)-N-ethyl-N-methylacetamide has a molecular weight of 248.33 g/mol, XLogP of 1.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-1H-isochromen-4-ylamino)-N-ethyl-N-methylacetamide is sourced from PubChem (CID 114132346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).