2-[(4-hydroxy-4-methylazepan-1-yl)methyl]benzamide

C15H22N2O2 — CID 107408094

IUPAC2-[(4-hydroxy-4-methylazepan-1-yl)methyl]benzamide
SMILESCC1(O)CCCN(Cc2ccccc2C(N)=O)CC1
InChIInChI=1S/C15H22N2O2/c1-15(19)7-4-9-17(10-8-15)11-12-5-2-3-6-13(12)14(16)18/h2-3,5-6,19H,4,7-11H2,1H3,(H2,16,18)
InChIKeyFPYORDICSUQZSB-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.52
Rot. Bonds3

About 2-[(4-hydroxy-4-methylazepan-1-yl)methyl]benzamide

2-[(4-hydroxy-4-methylazepan-1-yl)methyl]benzamide (PubChem CID 107408094) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 2-[(4-hydroxy-4-methylazepan-1-yl)methyl]benzamide.

Molecular Properties

Compound Name2-[(4-hydroxy-4-methylazepan-1-yl)methyl]benzamide
PubChem CID107408094
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name2-[(4-hydroxy-4-methylazepan-1-yl)methyl]benzamide
SMILESCC1(O)CCCN(Cc2ccccc2C(N)=O)CC1
InChIInChI=1S/C15H22N2O2/c1-15(19)7-4-9-17(10-8-15)11-12-5-2-3-6-13(12)14(16)18/h2-3,5-6,19H,4,7-11H2,1H3,(H2,16,18)
InChIKeyFPYORDICSUQZSB-UHFFFAOYSA-N
XLogP1.52
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-hydroxy-4-methylazepan-1-yl)methyl]benzenecarboximidamide
CID 107404843
1-[(2-carbamoylphenyl)methyl]-4-ethylpiperidine-4-carboxylic acid
CID 63126554
1-[(2-carbamoylphenyl)methyl]-3-ethylpiperidine-3-carboxylic acid
CID 63137008
methyl 2-[(3-hydroxy-3-methylpiperidin-1-yl)methyl]benzoate
CID 115883276
1-[(2-ethoxyphenyl)methyl]-4-methylazepan-4-ol
CID 107408415
2-[(4,4-dimethylpiperidin-1-yl)methyl]benzohydrazide
CID 63573428
2-amino-6-[(4-hydroxy-4-methylpiperidin-1-yl)methyl]benzoic acid
CID 104824812
2-(4-hydroxy-4-methylazepan-1-yl)-1-phenylethanone
CID 107405289
3-[4-[(2-carbamoylphenyl)methyl]piperazin-1-yl]propanoic acid
CID 43522420
1-[(2-amino-5-fluorophenyl)methyl]-4-methylazepan-4-ol
CID 107403847
1-[(4-amino-2-fluorophenyl)methyl]-4-methylazepan-4-ol
CID 107403903
2-(4-hydroxy-4-methylazepan-1-yl)-1-(2-methoxyphenyl)ethanone
CID 107405297

Frequently Asked Questions

What is the IUPAC name of 2-[(4-hydroxy-4-methylazepan-1-yl)methyl]benzamide?
The IUPAC name of 2-[(4-hydroxy-4-methylazepan-1-yl)methyl]benzamide (CID 107408094) is 2-[(4-hydroxy-4-methylazepan-1-yl)methyl]benzamide.
What is the SMILES notation for 2-[(4-hydroxy-4-methylazepan-1-yl)methyl]benzamide?
The canonical SMILES for 2-[(4-hydroxy-4-methylazepan-1-yl)methyl]benzamide is CC1(O)CCCN(Cc2ccccc2C(N)=O)CC1.
What is the InChIKey of 2-[(4-hydroxy-4-methylazepan-1-yl)methyl]benzamide?
The InChIKey is FPYORDICSUQZSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-15(19)7-4-9-17(10-8-15)11-12-5-2-3-6-13(12)14(16)18/h2-3,5-6,19H,4,7-11H2,1H3,(H2,16,18).
What are the key properties of 2-[(4-hydroxy-4-methylazepan-1-yl)methyl]benzamide?
2-[(4-hydroxy-4-methylazepan-1-yl)methyl]benzamide has a molecular weight of 262.35 g/mol, XLogP of 1.52, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-hydroxy-4-methylazepan-1-yl)methyl]benzamide is sourced from PubChem (CID 107408094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).