2-[4-hydroxy-4-(phenoxymethyl)azepan-1-yl]-N-(2-phenylethyl)acetamide

C23H30N2O3 — CID 155991932

IUPAC2-[4-hydroxy-4-(phenoxymethyl)azepan-1-yl]-N-(2-phenylethyl)acetamide
SMILESO=C(CN1CCCC(O)(COc2ccccc2)CC1)NCCc1ccccc1
InChIInChI=1S/C23H30N2O3/c26-22(24-15-12-20-8-3-1-4-9-20)18-25-16-7-13-23(27,14-17-25)19-28-21-10-5-2-6-11-21/h1-6,8-11,27H,7,12-19H2,(H,24,26)
InChIKeyFOFCWGUVFSSKME-UHFFFAOYSA-N
MW382.50 g/mol
LogP2.64
Rot. Bonds8

About 2-[4-hydroxy-4-(phenoxymethyl)azepan-1-yl]-N-(2-phenylethyl)acetamide

2-[4-hydroxy-4-(phenoxymethyl)azepan-1-yl]-N-(2-phenylethyl)acetamide (PubChem CID 155991932) has the molecular formula C23H30N2O3 and a molecular weight of 382.50 g/mol. Its IUPAC name is 2-[4-hydroxy-4-(phenoxymethyl)azepan-1-yl]-N-(2-phenylethyl)acetamide.

Molecular Properties

Compound Name2-[4-hydroxy-4-(phenoxymethyl)azepan-1-yl]-N-(2-phenylethyl)acetamide
PubChem CID155991932
Molecular FormulaC23H30N2O3
Molecular Weight382.50 g/mol
Exact Mass382.23
IUPAC Name2-[4-hydroxy-4-(phenoxymethyl)azepan-1-yl]-N-(2-phenylethyl)acetamide
SMILESO=C(CN1CCCC(O)(COc2ccccc2)CC1)NCCc1ccccc1
InChIInChI=1S/C23H30N2O3/c26-22(24-15-12-20-8-3-1-4-9-20)18-25-16-7-13-23(27,14-17-25)19-28-21-10-5-2-6-11-21/h1-6,8-11,27H,7,12-19H2,(H,24,26)
InChIKeyFOFCWGUVFSSKME-UHFFFAOYSA-N
XLogP2.64
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.50
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3S)-3-[(4-chloro-3,5-dimethylphenoxy)methyl]-3-hydroxypiperidin-1-yl]-N-(2-phenylethyl)acetamide
CID 129453545
4-(phenoxymethyl)-1-(3-phenylpropyl)azepan-4-ol
CID 155990791
2-[4-hydroxy-4-(phenoxymethyl)azepan-1-yl]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
CID 155991921
1-[4-hydroxy-4-(phenoxymethyl)azepan-1-yl]-2-phenylethanone
CID 155990787
2-[4-hydroxy-4-(phenoxymethyl)azepan-1-yl]-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide
CID 155991910
N-(1-ethyl-3-methylpyrazol-4-yl)-2-[4-hydroxy-4-(phenoxymethyl)azepan-1-yl]acetamide
CID 155991909
2-[3-hydroxy-3-(phenoxymethyl)pyrrolidin-1-yl]-N-pyridin-2-ylacetamide
CID 132770127
2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(2-phenylethyl)acetamide
CID 6470922
N-[2-[[(1-benzyl-3-hydroxypyrrolidin-3-yl)methyl-methylcarbamoyl]amino]ethyl]-2-phenoxyacetamide
CID 154863252
2-(4-formylpiperidin-1-yl)-N-(2-phenylethyl)acetamide
CID 62656271
2-[(3S)-3-hydroxy-3,4,4-trimethylpyrrolidin-1-yl]-N-(2-phenylethyl)acetamide
CID 133127289
2-[(4S)-4-[(2-fluorophenoxy)methyl]-4-hydroxyazepan-1-yl]-N-[(4-methoxyphenyl)methyl]acetamide
CID 129454842

Frequently Asked Questions

What is the IUPAC name of 2-[4-hydroxy-4-(phenoxymethyl)azepan-1-yl]-N-(2-phenylethyl)acetamide?
The IUPAC name of 2-[4-hydroxy-4-(phenoxymethyl)azepan-1-yl]-N-(2-phenylethyl)acetamide (CID 155991932) is 2-[4-hydroxy-4-(phenoxymethyl)azepan-1-yl]-N-(2-phenylethyl)acetamide.
What is the SMILES notation for 2-[4-hydroxy-4-(phenoxymethyl)azepan-1-yl]-N-(2-phenylethyl)acetamide?
The canonical SMILES for 2-[4-hydroxy-4-(phenoxymethyl)azepan-1-yl]-N-(2-phenylethyl)acetamide is O=C(CN1CCCC(O)(COc2ccccc2)CC1)NCCc1ccccc1.
What is the InChIKey of 2-[4-hydroxy-4-(phenoxymethyl)azepan-1-yl]-N-(2-phenylethyl)acetamide?
The InChIKey is FOFCWGUVFSSKME-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O3/c26-22(24-15-12-20-8-3-1-4-9-20)18-25-16-7-13-23(27,14-17-25)19-28-21-10-5-2-6-11-21/h1-6,8-11,27H,7,12-19H2,(H,24,26).
What are the key properties of 2-[4-hydroxy-4-(phenoxymethyl)azepan-1-yl]-N-(2-phenylethyl)acetamide?
2-[4-hydroxy-4-(phenoxymethyl)azepan-1-yl]-N-(2-phenylethyl)acetamide has a molecular weight of 382.50 g/mol, XLogP of 2.64, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-hydroxy-4-(phenoxymethyl)azepan-1-yl]-N-(2-phenylethyl)acetamide is sourced from PubChem (CID 155991932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).