N-(3,4-dihydro-2H-chromen-4-yl)-2-methoxy-N-methylacetamide

C13H17NO3 — CID 134794474

IUPACN-(3,4-dihydro-2H-chromen-4-yl)-2-methoxy-N-methylacetamide
SMILESCOCC(=O)N(C)C1CCOc2ccccc21
InChIInChI=1S/C13H17NO3/c1-14(13(15)9-16-2)11-7-8-17-12-6-4-3-5-10(11)12/h3-6,11H,7-9H2,1-2H3
InChIKeyIVKTYKOPURSXRX-UHFFFAOYSA-N
MW235.28 g/mol
LogP1.62
Rot. Bonds3

About N-(3,4-dihydro-2H-chromen-4-yl)-2-methoxy-N-methylacetamide

N-(3,4-dihydro-2H-chromen-4-yl)-2-methoxy-N-methylacetamide (PubChem CID 134794474) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-chromen-4-yl)-2-methoxy-N-methylacetamide.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-chromen-4-yl)-2-methoxy-N-methylacetamide
PubChem CID134794474
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC NameN-(3,4-dihydro-2H-chromen-4-yl)-2-methoxy-N-methylacetamide
SMILESCOCC(=O)N(C)C1CCOc2ccccc21
InChIInChI=1S/C13H17NO3/c1-14(13(15)9-16-2)11-7-8-17-12-6-4-3-5-10(11)12/h3-6,11H,7-9H2,1-2H3
InChIKeyIVKTYKOPURSXRX-UHFFFAOYSA-N
XLogP1.62
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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N-(3,4-dihydro-2H-chromen-4-yl)-2-(4-fluorophenyl)-N-methylacetamide
CID 110751168
N-(3,4-dihydro-2H-chromen-4-yl)-4-methoxy-N-methylbenzamide
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1-(3,4-dihydro-2H-chromen-4-yl)-3-(2,2-dimethylpropyl)-1-methylurea
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N-(3,4-dihydro-2H-chromen-4-yl)-2-fluoro-N-methylbenzamide
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1-(3,4-dihydro-2H-chromen-4-yl)-1-methyl-3-propan-2-ylurea
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N-(3,4-dihydro-2H-chromen-4-yl)-N-methyl-6-oxo-1H-pyridazine-3-carboxamide
CID 110750957
N-(3,4-dihydro-2H-chromen-4-yl)-N-methyl-1,3-thiazolidine-4-carboxamide
CID 110750956
2-[3,4-dihydro-2H-chromen-4-yl(methyl)amino]-1-piperazin-1-ylethanone
CID 61017517
2-(2-methoxyethoxy)-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 103601646
1-(3,4-dihydro-2H-chromen-4-yl)propan-2-one
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N-(cyclohexylmethyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 134794851

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-chromen-4-yl)-2-methoxy-N-methylacetamide?
The IUPAC name of N-(3,4-dihydro-2H-chromen-4-yl)-2-methoxy-N-methylacetamide (CID 134794474) is N-(3,4-dihydro-2H-chromen-4-yl)-2-methoxy-N-methylacetamide.
What is the SMILES notation for N-(3,4-dihydro-2H-chromen-4-yl)-2-methoxy-N-methylacetamide?
The canonical SMILES for N-(3,4-dihydro-2H-chromen-4-yl)-2-methoxy-N-methylacetamide is COCC(=O)N(C)C1CCOc2ccccc21.
What is the InChIKey of N-(3,4-dihydro-2H-chromen-4-yl)-2-methoxy-N-methylacetamide?
The InChIKey is IVKTYKOPURSXRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c1-14(13(15)9-16-2)11-7-8-17-12-6-4-3-5-10(11)12/h3-6,11H,7-9H2,1-2H3.
What are the key properties of N-(3,4-dihydro-2H-chromen-4-yl)-2-methoxy-N-methylacetamide?
N-(3,4-dihydro-2H-chromen-4-yl)-2-methoxy-N-methylacetamide has a molecular weight of 235.28 g/mol, XLogP of 1.62, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-2H-chromen-4-yl)-2-methoxy-N-methylacetamide is sourced from PubChem (CID 134794474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).