3-(3,4-dihydro-2H-chromen-7-yloxy)-N,N-diethylpropanamide

C16H23NO3 — CID 141195353

IUPAC3-(3,4-dihydro-2H-chromen-7-yloxy)-N,N-diethylpropanamide
SMILESCCN(CC)C(=O)CCOc1ccc2c(c1)OCCC2
InChIInChI=1S/C16H23NO3/c1-3-17(4-2)16(18)9-11-19-14-8-7-13-6-5-10-20-15(13)12-14/h7-8,12H,3-6,9-11H2,1-2H3
InChIKeyHXNBQEGPWSGBSC-UHFFFAOYSA-N
MW277.36 g/mol
LogP2.65
Rot. Bonds6

About 3-(3,4-dihydro-2H-chromen-7-yloxy)-N,N-diethylpropanamide

3-(3,4-dihydro-2H-chromen-7-yloxy)-N,N-diethylpropanamide (PubChem CID 141195353) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is 3-(3,4-dihydro-2H-chromen-7-yloxy)-N,N-diethylpropanamide.

Molecular Properties

Compound Name3-(3,4-dihydro-2H-chromen-7-yloxy)-N,N-diethylpropanamide
PubChem CID141195353
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Name3-(3,4-dihydro-2H-chromen-7-yloxy)-N,N-diethylpropanamide
SMILESCCN(CC)C(=O)CCOc1ccc2c(c1)OCCC2
InChIInChI=1S/C16H23NO3/c1-3-17(4-2)16(18)9-11-19-14-8-7-13-6-5-10-20-15(13)12-14/h7-8,12H,3-6,9-11H2,1-2H3
InChIKeyHXNBQEGPWSGBSC-UHFFFAOYSA-N
XLogP2.65
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dihydro-2H-chromen-7-yloxy)-N,N-diethylpropanamide?
The IUPAC name of 3-(3,4-dihydro-2H-chromen-7-yloxy)-N,N-diethylpropanamide (CID 141195353) is 3-(3,4-dihydro-2H-chromen-7-yloxy)-N,N-diethylpropanamide.
What is the SMILES notation for 3-(3,4-dihydro-2H-chromen-7-yloxy)-N,N-diethylpropanamide?
The canonical SMILES for 3-(3,4-dihydro-2H-chromen-7-yloxy)-N,N-diethylpropanamide is CCN(CC)C(=O)CCOc1ccc2c(c1)OCCC2.
What is the InChIKey of 3-(3,4-dihydro-2H-chromen-7-yloxy)-N,N-diethylpropanamide?
The InChIKey is HXNBQEGPWSGBSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-3-17(4-2)16(18)9-11-19-14-8-7-13-6-5-10-20-15(13)12-14/h7-8,12H,3-6,9-11H2,1-2H3.
What are the key properties of 3-(3,4-dihydro-2H-chromen-7-yloxy)-N,N-diethylpropanamide?
3-(3,4-dihydro-2H-chromen-7-yloxy)-N,N-diethylpropanamide has a molecular weight of 277.36 g/mol, XLogP of 2.65, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dihydro-2H-chromen-7-yloxy)-N,N-diethylpropanamide is sourced from PubChem (CID 141195353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).