2-methoxy-1-(3-phenylazepan-1-yl)ethanone

C15H21NO2 — CID 90608413

IUPAC2-methoxy-1-(3-phenylazepan-1-yl)ethanone
SMILESCOCC(=O)N1CCCCC(c2ccccc2)C1
InChIInChI=1S/C15H21NO2/c1-18-12-15(17)16-10-6-5-9-14(11-16)13-7-3-2-4-8-13/h2-4,7-8,14H,5-6,9-12H2,1H3
InChIKeyRQKMTUQBFAGGKA-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.43
Rot. Bonds3

About 2-methoxy-1-(3-phenylazepan-1-yl)ethanone

2-methoxy-1-(3-phenylazepan-1-yl)ethanone (PubChem CID 90608413) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 2-methoxy-1-(3-phenylazepan-1-yl)ethanone.

Molecular Properties

Compound Name2-methoxy-1-(3-phenylazepan-1-yl)ethanone
PubChem CID90608413
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name2-methoxy-1-(3-phenylazepan-1-yl)ethanone
SMILESCOCC(=O)N1CCCCC(c2ccccc2)C1
InChIInChI=1S/C15H21NO2/c1-18-12-15(17)16-10-6-5-9-14(11-16)13-7-3-2-4-8-13/h2-4,7-8,14H,5-6,9-12H2,1H3
InChIKeyRQKMTUQBFAGGKA-UHFFFAOYSA-N
XLogP2.43
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3S)-3-(4-methoxyphenyl)azepan-1-yl]-2-phenylmethoxyethanone
CID 99876857
3-phenyl-1-(3-phenylazepan-1-yl)propan-1-one
CID 90608490
3-methyl-1-(3-phenylpiperidin-1-yl)butan-1-one
CID 141126685
ethyl 2-oxo-2-(3-phenylazepan-1-yl)acetate
CID 90608416
2-benzylsulfanyl-1-(3-phenylazepan-1-yl)ethanone
CID 90608480
4,4,4-trifluoro-1-[(3R)-3-phenylazepan-1-yl]butan-1-one
CID 129355632
2-methyl-1-(3-phenylazepan-1-yl)propan-1-one
CID 90608399
1-[3-(4-methoxyphenyl)azepan-1-yl]-3-phenylpropan-1-one
CID 121147024
1-[3-(4-fluorophenyl)azepan-1-yl]-2-(2-methylphenoxy)ethanone
CID 90608788
1-[(3S)-3-(6-benzyl-2-pyridinyl)piperidin-1-yl]-2-methoxyethanone
CID 95809601
2-methoxy-1-[3-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]ethanone
CID 53192169
2-(2-hydroxyphenyl)-1-(3-phenylpiperidin-1-yl)ethanone
CID 141126673

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-(3-phenylazepan-1-yl)ethanone?
The IUPAC name of 2-methoxy-1-(3-phenylazepan-1-yl)ethanone (CID 90608413) is 2-methoxy-1-(3-phenylazepan-1-yl)ethanone.
What is the SMILES notation for 2-methoxy-1-(3-phenylazepan-1-yl)ethanone?
The canonical SMILES for 2-methoxy-1-(3-phenylazepan-1-yl)ethanone is COCC(=O)N1CCCCC(c2ccccc2)C1.
What is the InChIKey of 2-methoxy-1-(3-phenylazepan-1-yl)ethanone?
The InChIKey is RQKMTUQBFAGGKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-18-12-15(17)16-10-6-5-9-14(11-16)13-7-3-2-4-8-13/h2-4,7-8,14H,5-6,9-12H2,1H3.
What are the key properties of 2-methoxy-1-(3-phenylazepan-1-yl)ethanone?
2-methoxy-1-(3-phenylazepan-1-yl)ethanone has a molecular weight of 247.34 g/mol, XLogP of 2.43, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-(3-phenylazepan-1-yl)ethanone is sourced from PubChem (CID 90608413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).