3-phenyl-1-(3-phenylazepan-1-yl)propan-1-one

C21H25NO — CID 90608490

IUPAC3-phenyl-1-(3-phenylazepan-1-yl)propan-1-one
SMILESO=C(CCc1ccccc1)N1CCCCC(c2ccccc2)C1
InChIInChI=1S/C21H25NO/c23-21(15-14-18-9-3-1-4-10-18)22-16-8-7-13-20(17-22)19-11-5-2-6-12-19/h1-6,9-12,20H,7-8,13-17H2
InChIKeyHWOSMAUCVKZITG-UHFFFAOYSA-N
MW307.44 g/mol
LogP4.42
Rot. Bonds4

About 3-phenyl-1-(3-phenylazepan-1-yl)propan-1-one

3-phenyl-1-(3-phenylazepan-1-yl)propan-1-one (PubChem CID 90608490) has the molecular formula C21H25NO and a molecular weight of 307.44 g/mol. Its IUPAC name is 3-phenyl-1-(3-phenylazepan-1-yl)propan-1-one.

Molecular Properties

Compound Name3-phenyl-1-(3-phenylazepan-1-yl)propan-1-one
PubChem CID90608490
Molecular FormulaC21H25NO
Molecular Weight307.44 g/mol
Exact Mass307.19
IUPAC Name3-phenyl-1-(3-phenylazepan-1-yl)propan-1-one
SMILESO=C(CCc1ccccc1)N1CCCCC(c2ccccc2)C1
InChIInChI=1S/C21H25NO/c23-21(15-14-18-9-3-1-4-10-18)22-16-8-7-13-20(17-22)19-11-5-2-6-12-19/h1-6,9-12,20H,7-8,13-17H2
InChIKeyHWOSMAUCVKZITG-UHFFFAOYSA-N
XLogP4.42
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[3-(4-methoxyphenyl)azepan-1-yl]-3-phenylpropan-1-one
CID 121147024
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-methoxy-1-(3-phenylazepan-1-yl)ethanone
CID 90608413
2-methyl-2-[3-[1-(3-phenylpropanoyl)piperidin-3-yl]phenoxy]propanoic acid
CID 11646898
1-(3-phenylpropanoyl)piperidine-3-carbaldehyde
CID 82023420
(3S)-N-methyl-1-(3-phenylpropanoyl)piperidine-3-carboxamide
CID 154967020
1-[3-(4-chlorophenyl)piperidin-1-yl]-3-(4-hydroxyphenyl)propan-1-one
CID 118779777
(3S)-1-(3-phenylpropanoyl)-N-[(3R)-1-(3-phenylpropanoyl)piperidin-3-yl]piperidine-3-carboxamide
CID 102220745
5-(dithiolan-3-yl)-1-(3-phenylazepan-1-yl)pentan-1-one
CID 121017043
3-methyl-1-(3-phenylpiperidin-1-yl)butan-1-one
CID 141126685
1-(4-phenylbutanoyl)piperidine-3-carboxylic acid
CID 43119516

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-1-(3-phenylazepan-1-yl)propan-1-one?
The IUPAC name of 3-phenyl-1-(3-phenylazepan-1-yl)propan-1-one (CID 90608490) is 3-phenyl-1-(3-phenylazepan-1-yl)propan-1-one.
What is the SMILES notation for 3-phenyl-1-(3-phenylazepan-1-yl)propan-1-one?
The canonical SMILES for 3-phenyl-1-(3-phenylazepan-1-yl)propan-1-one is O=C(CCc1ccccc1)N1CCCCC(c2ccccc2)C1.
What is the InChIKey of 3-phenyl-1-(3-phenylazepan-1-yl)propan-1-one?
The InChIKey is HWOSMAUCVKZITG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO/c23-21(15-14-18-9-3-1-4-10-18)22-16-8-7-13-20(17-22)19-11-5-2-6-12-19/h1-6,9-12,20H,7-8,13-17H2.
What are the key properties of 3-phenyl-1-(3-phenylazepan-1-yl)propan-1-one?
3-phenyl-1-(3-phenylazepan-1-yl)propan-1-one has a molecular weight of 307.44 g/mol, XLogP of 4.42, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-1-(3-phenylazepan-1-yl)propan-1-one is sourced from PubChem (CID 90608490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).