N-ethyl-2-[(6-methoxy-3,4-dihydro-2H-chromen-4-yl)amino]-N-methylacetamide

C15H22N2O3 — CID 104926727

IUPACN-ethyl-2-[(6-methoxy-3,4-dihydro-2H-chromen-4-yl)amino]-N-methylacetamide
SMILESCCN(C)C(=O)CNC1CCOc2ccc(OC)cc21
InChIInChI=1S/C15H22N2O3/c1-4-17(2)15(18)10-16-13-7-8-20-14-6-5-11(19-3)9-12(13)14/h5-6,9,13,16H,4,7-8,10H2,1-3H3
InChIKeyJXMCYSMSZAYGBA-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.59
Rot. Bonds5

About N-ethyl-2-[(6-methoxy-3,4-dihydro-2H-chromen-4-yl)amino]-N-methylacetamide

N-ethyl-2-[(6-methoxy-3,4-dihydro-2H-chromen-4-yl)amino]-N-methylacetamide (PubChem CID 104926727) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is N-ethyl-2-[(6-methoxy-3,4-dihydro-2H-chromen-4-yl)amino]-N-methylacetamide.

Molecular Properties

Compound NameN-ethyl-2-[(6-methoxy-3,4-dihydro-2H-chromen-4-yl)amino]-N-methylacetamide
PubChem CID104926727
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC NameN-ethyl-2-[(6-methoxy-3,4-dihydro-2H-chromen-4-yl)amino]-N-methylacetamide
SMILESCCN(C)C(=O)CNC1CCOc2ccc(OC)cc21
InChIInChI=1S/C15H22N2O3/c1-4-17(2)15(18)10-16-13-7-8-20-14-6-5-11(19-3)9-12(13)14/h5-6,9,13,16H,4,7-8,10H2,1-3H3
InChIKeyJXMCYSMSZAYGBA-UHFFFAOYSA-N
XLogP1.59
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-methoxy-N-(3-methylbut-2-enyl)-3,4-dihydro-2H-chromen-4-amine
CID 103522678
(2R)-1-[(6-methoxy-3,4-dihydro-2H-chromen-4-yl)amino]propan-2-ol
CID 113349398
6-methoxy-N-(2-methoxyethyl)-3,4-dihydro-2H-chromen-4-amine
CID 43756306
N'-butan-2-yl-N-(6-methoxy-3,4-dihydro-2H-chromen-4-yl)-N'-methylethane-1,2-diamine
CID 103780845
N-benzyl-6-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 12851988
1,1-difluoro-3-[(6-methoxy-3,4-dihydro-2H-chromen-4-yl)amino]propan-2-ol
CID 103788069
2-[2-[(6-methoxy-3,4-dihydro-2H-chromen-4-yl)amino]ethoxy]ethanol
CID 43771494
6-methoxy-N-(thian-4-ylmethyl)-3,4-dihydro-2H-chromen-4-amine
CID 115720011
N-(2-cyclopropylpropyl)-6-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 115713963
6-methoxy-N-(3-methylsulfinylpropyl)-3,4-dihydro-2H-chromen-4-amine
CID 115721100
6-methoxy-N-[(3-methylcyclopentyl)methyl]-3,4-dihydro-2H-chromen-4-amine
CID 107411470
6-methoxy-N-(4-methylpentyl)-3,4-dihydro-2H-chromen-4-amine
CID 54914211

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[(6-methoxy-3,4-dihydro-2H-chromen-4-yl)amino]-N-methylacetamide?
The IUPAC name of N-ethyl-2-[(6-methoxy-3,4-dihydro-2H-chromen-4-yl)amino]-N-methylacetamide (CID 104926727) is N-ethyl-2-[(6-methoxy-3,4-dihydro-2H-chromen-4-yl)amino]-N-methylacetamide.
What is the SMILES notation for N-ethyl-2-[(6-methoxy-3,4-dihydro-2H-chromen-4-yl)amino]-N-methylacetamide?
The canonical SMILES for N-ethyl-2-[(6-methoxy-3,4-dihydro-2H-chromen-4-yl)amino]-N-methylacetamide is CCN(C)C(=O)CNC1CCOc2ccc(OC)cc21.
What is the InChIKey of N-ethyl-2-[(6-methoxy-3,4-dihydro-2H-chromen-4-yl)amino]-N-methylacetamide?
The InChIKey is JXMCYSMSZAYGBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-4-17(2)15(18)10-16-13-7-8-20-14-6-5-11(19-3)9-12(13)14/h5-6,9,13,16H,4,7-8,10H2,1-3H3.
What are the key properties of N-ethyl-2-[(6-methoxy-3,4-dihydro-2H-chromen-4-yl)amino]-N-methylacetamide?
N-ethyl-2-[(6-methoxy-3,4-dihydro-2H-chromen-4-yl)amino]-N-methylacetamide has a molecular weight of 278.35 g/mol, XLogP of 1.59, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[(6-methoxy-3,4-dihydro-2H-chromen-4-yl)amino]-N-methylacetamide is sourced from PubChem (CID 104926727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).