(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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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).