(4-methoxyphenyl)-(4-phenylazepan-1-yl)methanone

C20H23NO2 — CID 45269321

IUPAC(4-methoxyphenyl)-(4-phenylazepan-1-yl)methanone
SMILESCOc1ccc(C(=O)N2CCCC(c3ccccc3)CC2)cc1
InChIInChI=1S/C20H23NO2/c1-23-19-11-9-18(10-12-19)20(22)21-14-5-8-17(13-15-21)16-6-3-2-4-7-16/h2-4,6-7,9-12,17H,5,8,13-15H2,1H3
InChIKeySLZXHOMMTNEABC-UHFFFAOYSA-N
MW309.41 g/mol
LogP4.11
Rot. Bonds3

About (4-methoxyphenyl)-(4-phenylazepan-1-yl)methanone

(4-methoxyphenyl)-(4-phenylazepan-1-yl)methanone (PubChem CID 45269321) has the molecular formula C20H23NO2 and a molecular weight of 309.41 g/mol. Its IUPAC name is (4-methoxyphenyl)-(4-phenylazepan-1-yl)methanone.

Molecular Properties

Compound Name(4-methoxyphenyl)-(4-phenylazepan-1-yl)methanone
PubChem CID45269321
Molecular FormulaC20H23NO2
Molecular Weight309.41 g/mol
Exact Mass309.17
IUPAC Name(4-methoxyphenyl)-(4-phenylazepan-1-yl)methanone
SMILESCOc1ccc(C(=O)N2CCCC(c3ccccc3)CC2)cc1
InChIInChI=1S/C20H23NO2/c1-23-19-11-9-18(10-12-19)20(22)21-14-5-8-17(13-15-21)16-6-3-2-4-7-16/h2-4,6-7,9-12,17H,5,8,13-15H2,1H3
InChIKeySLZXHOMMTNEABC-UHFFFAOYSA-N
XLogP4.11
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)-(4-phenylazepan-1-yl)methanone?
The IUPAC name of (4-methoxyphenyl)-(4-phenylazepan-1-yl)methanone (CID 45269321) is (4-methoxyphenyl)-(4-phenylazepan-1-yl)methanone.
What is the SMILES notation for (4-methoxyphenyl)-(4-phenylazepan-1-yl)methanone?
The canonical SMILES for (4-methoxyphenyl)-(4-phenylazepan-1-yl)methanone is COc1ccc(C(=O)N2CCCC(c3ccccc3)CC2)cc1.
What is the InChIKey of (4-methoxyphenyl)-(4-phenylazepan-1-yl)methanone?
The InChIKey is SLZXHOMMTNEABC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO2/c1-23-19-11-9-18(10-12-19)20(22)21-14-5-8-17(13-15-21)16-6-3-2-4-7-16/h2-4,6-7,9-12,17H,5,8,13-15H2,1H3.
What are the key properties of (4-methoxyphenyl)-(4-phenylazepan-1-yl)methanone?
(4-methoxyphenyl)-(4-phenylazepan-1-yl)methanone has a molecular weight of 309.41 g/mol, XLogP of 4.11, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)-(4-phenylazepan-1-yl)methanone is sourced from PubChem (CID 45269321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).