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

C14H19NO3 — CID 18177456

IUPACN-[2-(6-methoxy-3,4-dihydro-2H-chromen-2-yl)ethyl]acetamide
SMILESCOc1ccc2c(c1)CCC(CCNC(C)=O)O2
InChIInChI=1S/C14H19NO3/c1-10(16)15-8-7-12-4-3-11-9-13(17-2)5-6-14(11)18-12/h5-6,9,12H,3-4,7-8H2,1-2H3,(H,15,16)
InChIKeyIDQXNKLZNFSEBW-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.91
Rot. Bonds4

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

N-[2-(6-methoxy-3,4-dihydro-2H-chromen-2-yl)ethyl]acetamide (PubChem CID 18177456) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is N-[2-(6-methoxy-3,4-dihydro-2H-chromen-2-yl)ethyl]acetamide.

Molecular Properties

Compound NameN-[2-(6-methoxy-3,4-dihydro-2H-chromen-2-yl)ethyl]acetamide
PubChem CID18177456
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC NameN-[2-(6-methoxy-3,4-dihydro-2H-chromen-2-yl)ethyl]acetamide
SMILESCOc1ccc2c(c1)CCC(CCNC(C)=O)O2
InChIInChI=1S/C14H19NO3/c1-10(16)15-8-7-12-4-3-11-9-13(17-2)5-6-14(11)18-12/h5-6,9,12H,3-4,7-8H2,1-2H3,(H,15,16)
InChIKeyIDQXNKLZNFSEBW-UHFFFAOYSA-N
XLogP1.91
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(5-methoxy-2,3-dihydro-1H-inden-1-yl)ethyl]acetamide
CID 22922683
(2S)-6-methoxy-3,4-dihydro-2H-chromene-2-carboxylic acid
CID 70048394
methyl 3-[(2R)-6-bromo-3,4-dihydro-2H-chromen-2-yl]propanoate
CID 138319732
N-[2-(2-benzyl-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]acetamide
CID 44582585
2-(5-methoxy-2,3-dihydro-1-benzofuran-2-yl)acetamide
CID 121345070
(5-methoxy-2,3-dihydro-1-benzofuran-2-yl)methanol
CID 23244646
N-[2-(2-ethyl-7-methoxy-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)ethyl]-2-methylsulfanylacetamide
CID 45175094
N-[2-[(2S)-2-ethyl-7-methoxy-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]ethyl]-2-methylsulfanylacetamide
CID 42440260
N-[2-[(1S)-6-methoxy-2,3-dihydro-1H-inden-1-yl]ethyl]-2-oxopropanamide
CID 142703369
(E)-N-[(5-methoxy-2,3-dihydro-1-benzofuran-2-yl)methyl]but-2-enamide
CID 42656668
[2-(4,8,12-trimethyltridecyl)-3,4-dihydro-2H-chromen-6-yl] hydrogen carbonate
CID 19900615
N-[(5-methoxy-2,3-dihydro-1-benzofuran-2-yl)methyl]-2,5-dimethylfuran-3-carboxamide
CID 46704833

Frequently Asked Questions

What is the IUPAC name of N-[2-(6-methoxy-3,4-dihydro-2H-chromen-2-yl)ethyl]acetamide?
The IUPAC name of N-[2-(6-methoxy-3,4-dihydro-2H-chromen-2-yl)ethyl]acetamide (CID 18177456) is N-[2-(6-methoxy-3,4-dihydro-2H-chromen-2-yl)ethyl]acetamide.
What is the SMILES notation for N-[2-(6-methoxy-3,4-dihydro-2H-chromen-2-yl)ethyl]acetamide?
The canonical SMILES for N-[2-(6-methoxy-3,4-dihydro-2H-chromen-2-yl)ethyl]acetamide is COc1ccc2c(c1)CCC(CCNC(C)=O)O2.
What is the InChIKey of N-[2-(6-methoxy-3,4-dihydro-2H-chromen-2-yl)ethyl]acetamide?
The InChIKey is IDQXNKLZNFSEBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-10(16)15-8-7-12-4-3-11-9-13(17-2)5-6-14(11)18-12/h5-6,9,12H,3-4,7-8H2,1-2H3,(H,15,16).
What are the key properties of N-[2-(6-methoxy-3,4-dihydro-2H-chromen-2-yl)ethyl]acetamide?
N-[2-(6-methoxy-3,4-dihydro-2H-chromen-2-yl)ethyl]acetamide has a molecular weight of 249.31 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6-methoxy-3,4-dihydro-2H-chromen-2-yl)ethyl]acetamide is sourced from PubChem (CID 18177456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).