N-(4-acetylphenyl)-4-hydroxy-4-methylazepane-1-carboxamide

C16H22N2O3 — CID 107406879

IUPACN-(4-acetylphenyl)-4-hydroxy-4-methylazepane-1-carboxamide
SMILESCC(=O)c1ccc(NC(=O)N2CCCC(C)(O)CC2)cc1
InChIInChI=1S/C16H22N2O3/c1-12(19)13-4-6-14(7-5-13)17-15(20)18-10-3-8-16(2,21)9-11-18/h4-7,21H,3,8-11H2,1-2H3,(H,17,20)
InChIKeyPJWMADRHKGTUEL-UHFFFAOYSA-N
MW290.36 g/mol
LogP2.66
Rot. Bonds2

About N-(4-acetylphenyl)-4-hydroxy-4-methylazepane-1-carboxamide

N-(4-acetylphenyl)-4-hydroxy-4-methylazepane-1-carboxamide (PubChem CID 107406879) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is N-(4-acetylphenyl)-4-hydroxy-4-methylazepane-1-carboxamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-4-hydroxy-4-methylazepane-1-carboxamide
PubChem CID107406879
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC NameN-(4-acetylphenyl)-4-hydroxy-4-methylazepane-1-carboxamide
SMILESCC(=O)c1ccc(NC(=O)N2CCCC(C)(O)CC2)cc1
InChIInChI=1S/C16H22N2O3/c1-12(19)13-4-6-14(7-5-13)17-15(20)18-10-3-8-16(2,21)9-11-18/h4-7,21H,3,8-11H2,1-2H3,(H,17,20)
InChIKeyPJWMADRHKGTUEL-UHFFFAOYSA-N
XLogP2.66
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-4-hydroxy-4-methylazepane-1-carboxamide?
The IUPAC name of N-(4-acetylphenyl)-4-hydroxy-4-methylazepane-1-carboxamide (CID 107406879) is N-(4-acetylphenyl)-4-hydroxy-4-methylazepane-1-carboxamide.
What is the SMILES notation for N-(4-acetylphenyl)-4-hydroxy-4-methylazepane-1-carboxamide?
The canonical SMILES for N-(4-acetylphenyl)-4-hydroxy-4-methylazepane-1-carboxamide is CC(=O)c1ccc(NC(=O)N2CCCC(C)(O)CC2)cc1.
What is the InChIKey of N-(4-acetylphenyl)-4-hydroxy-4-methylazepane-1-carboxamide?
The InChIKey is PJWMADRHKGTUEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-12(19)13-4-6-14(7-5-13)17-15(20)18-10-3-8-16(2,21)9-11-18/h4-7,21H,3,8-11H2,1-2H3,(H,17,20).
What are the key properties of N-(4-acetylphenyl)-4-hydroxy-4-methylazepane-1-carboxamide?
N-(4-acetylphenyl)-4-hydroxy-4-methylazepane-1-carboxamide has a molecular weight of 290.36 g/mol, XLogP of 2.66, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-4-hydroxy-4-methylazepane-1-carboxamide is sourced from PubChem (CID 107406879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).