(7R)-1-(2-hydroxy-2-phenylacetyl)-7-(2-methylpropyl)azepan-2-one

C18H25NO3 — CID 102182371

IUPAC(7R)-1-(2-hydroxy-2-phenylacetyl)-7-(2-methylpropyl)azepan-2-one
SMILESCC(C)C[C@H]1CCCCC(=O)N1C(=O)C(O)c1ccccc1
InChIInChI=1S/C18H25NO3/c1-13(2)12-15-10-6-7-11-16(20)19(15)18(22)17(21)14-8-4-3-5-9-14/h3-5,8-9,13,15,17,21H,6-7,10-12H2,1-2H3/t15-,17?/m1/s1
InChIKeyNDHXULZGJXWEQO-LDCVWXEPSA-N
MW303.40 g/mol
LogP3.06
Rot. Bonds4

About (7R)-1-(2-hydroxy-2-phenylacetyl)-7-(2-methylpropyl)azepan-2-one

(7R)-1-(2-hydroxy-2-phenylacetyl)-7-(2-methylpropyl)azepan-2-one (PubChem CID 102182371) has the molecular formula C18H25NO3 and a molecular weight of 303.40 g/mol. Its IUPAC name is (7R)-1-(2-hydroxy-2-phenylacetyl)-7-(2-methylpropyl)azepan-2-one.

Molecular Properties

Compound Name(7R)-1-(2-hydroxy-2-phenylacetyl)-7-(2-methylpropyl)azepan-2-one
PubChem CID102182371
Molecular FormulaC18H25NO3
Molecular Weight303.40 g/mol
Exact Mass303.18
IUPAC Name(7R)-1-(2-hydroxy-2-phenylacetyl)-7-(2-methylpropyl)azepan-2-one
SMILESCC(C)C[C@H]1CCCCC(=O)N1C(=O)C(O)c1ccccc1
InChIInChI=1S/C18H25NO3/c1-13(2)12-15-10-6-7-11-16(20)19(15)18(22)17(21)14-8-4-3-5-9-14/h3-5,8-9,13,15,17,21H,6-7,10-12H2,1-2H3/t15-,17?/m1/s1
InChIKeyNDHXULZGJXWEQO-LDCVWXEPSA-N
XLogP3.06
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.40
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3aR,7aR)-1,3-bis[(2R,3R)-3-hydroxy-2-methyl-3-phenylpropanoyl]-3a,4,5,6,7,7a-hexahydrobenzimidazol-2-one
CID 15177570
cyclopentanecarbaldehyde;2-hydroxy-2-phenylacetic acid
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2-hydroxy-1-[4-(1-hydroxyethyl)piperidin-1-yl]-2-phenylethanone
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(2R)-2-amino-1-[(2S)-2-[(2R)-2-hydroxy-2-phenylethyl]pyrrolidin-1-yl]propan-1-one
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benzyl (2S)-2-(2-methylpropyl)pyrrolidine-1-carboxylate
CID 58597841
(6S)-1-[(1R)-1-phenylethyl]-6-propylpiperidin-2-one
CID 11402324
1-(4-cyclopentylpiperazin-1-yl)-2-hydroxy-2-phenylethanone
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1-[1-(1-phenylethyl)piperidin-2-yl]propan-2-ol
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2-[(2R)-2-[(2R)-2-hydroxy-2-phenylethyl]azepan-1-yl]-N-[3-(2-oxoazepan-1-yl)propyl]acetamide
CID 96534867
2-[2-(2-hydroxy-2-phenylethyl)pyrrolidin-1-yl]-N-propan-2-ylacetamide
CID 111490245
(5S)-2-oxo-5-phenyl-N-[(1S)-1-phenylethyl]pyrrolidine-1-carboxamide
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Frequently Asked Questions

What is the IUPAC name of (7R)-1-(2-hydroxy-2-phenylacetyl)-7-(2-methylpropyl)azepan-2-one?
The IUPAC name of (7R)-1-(2-hydroxy-2-phenylacetyl)-7-(2-methylpropyl)azepan-2-one (CID 102182371) is (7R)-1-(2-hydroxy-2-phenylacetyl)-7-(2-methylpropyl)azepan-2-one.
What is the SMILES notation for (7R)-1-(2-hydroxy-2-phenylacetyl)-7-(2-methylpropyl)azepan-2-one?
The canonical SMILES for (7R)-1-(2-hydroxy-2-phenylacetyl)-7-(2-methylpropyl)azepan-2-one is CC(C)C[C@H]1CCCCC(=O)N1C(=O)C(O)c1ccccc1.
What is the InChIKey of (7R)-1-(2-hydroxy-2-phenylacetyl)-7-(2-methylpropyl)azepan-2-one?
The InChIKey is NDHXULZGJXWEQO-LDCVWXEPSA-N. The full InChI is InChI=1S/C18H25NO3/c1-13(2)12-15-10-6-7-11-16(20)19(15)18(22)17(21)14-8-4-3-5-9-14/h3-5,8-9,13,15,17,21H,6-7,10-12H2,1-2H3/t15-,17?/m1/s1.
What are the key properties of (7R)-1-(2-hydroxy-2-phenylacetyl)-7-(2-methylpropyl)azepan-2-one?
(7R)-1-(2-hydroxy-2-phenylacetyl)-7-(2-methylpropyl)azepan-2-one has a molecular weight of 303.40 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-1-(2-hydroxy-2-phenylacetyl)-7-(2-methylpropyl)azepan-2-one is sourced from PubChem (CID 102182371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).