4-methyl-N-[4-(1,4-oxazepan-4-ylmethyl)phenyl]benzamide

C20H24N2O2 — CID 166858230

IUPAC4-methyl-N-[4-(1,4-oxazepan-4-ylmethyl)phenyl]benzamide
SMILESCc1ccc(C(=O)Nc2ccc(CN3CCCOCC3)cc2)cc1
InChIInChI=1S/C20H24N2O2/c1-16-3-7-18(8-4-16)20(23)21-19-9-5-17(6-10-19)15-22-11-2-13-24-14-12-22/h3-10H,2,11-15H2,1H3,(H,21,23)
InChIKeyMSJPTLVRRUSLPI-UHFFFAOYSA-N
MW324.42 g/mol
LogP3.47
Rot. Bonds4

About 4-methyl-N-[4-(1,4-oxazepan-4-ylmethyl)phenyl]benzamide

4-methyl-N-[4-(1,4-oxazepan-4-ylmethyl)phenyl]benzamide (PubChem CID 166858230) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is 4-methyl-N-[4-(1,4-oxazepan-4-ylmethyl)phenyl]benzamide.

Molecular Properties

Compound Name4-methyl-N-[4-(1,4-oxazepan-4-ylmethyl)phenyl]benzamide
PubChem CID166858230
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC Name4-methyl-N-[4-(1,4-oxazepan-4-ylmethyl)phenyl]benzamide
SMILESCc1ccc(C(=O)Nc2ccc(CN3CCCOCC3)cc2)cc1
InChIInChI=1S/C20H24N2O2/c1-16-3-7-18(8-4-16)20(23)21-19-9-5-17(6-10-19)15-22-11-2-13-24-14-12-22/h3-10H,2,11-15H2,1H3,(H,21,23)
InChIKeyMSJPTLVRRUSLPI-UHFFFAOYSA-N
XLogP3.47
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-acetylphenyl)-4-(morpholin-4-ylmethyl)benzamide
CID 5132306
4-(morpholin-4-ylmethyl)-N-[4-(trifluoromethyl)phenyl]benzamide
CID 2211000
N-[4-(morpholin-4-ylmethyl)phenyl]-4-(trifluoromethyl)benzamide
CID 108731001
4-[[4-[(3-hydroxyphenyl)methyl]-1,4-diazepan-1-yl]methyl]-N-(4-methylphenyl)benzamide
CID 44530001
N-(3-amino-4-methylphenyl)-4-(morpholin-4-ylmethyl)benzamide
CID 141217445
3-methyl-N-(4-methylphenyl)-4-(morpholin-4-ylmethyl)benzamide
CID 157492657
N-[4-(azepan-1-ylsulfonyl)phenyl]-4-(morpholin-4-ylmethyl)benzamide
CID 126320858
N-(3,4-dimethoxyphenyl)-4-(morpholin-4-ylmethyl)benzamide
CID 1099911
4-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-N-(4-methylphenyl)benzamide
CID 42850972
4-butan-2-yloxy-N-[4-(morpholin-4-ylmethyl)phenyl]benzamide
CID 2940925
dimethyl 5-[[4-(morpholin-4-ylmethyl)benzoyl]amino]benzene-1,3-dicarboxylate
CID 9045335
4-(difluoromethylsulfonyl)-N-[4-(morpholin-4-ylmethyl)phenyl]benzamide
CID 78829467

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[4-(1,4-oxazepan-4-ylmethyl)phenyl]benzamide?
The IUPAC name of 4-methyl-N-[4-(1,4-oxazepan-4-ylmethyl)phenyl]benzamide (CID 166858230) is 4-methyl-N-[4-(1,4-oxazepan-4-ylmethyl)phenyl]benzamide.
What is the SMILES notation for 4-methyl-N-[4-(1,4-oxazepan-4-ylmethyl)phenyl]benzamide?
The canonical SMILES for 4-methyl-N-[4-(1,4-oxazepan-4-ylmethyl)phenyl]benzamide is Cc1ccc(C(=O)Nc2ccc(CN3CCCOCC3)cc2)cc1.
What is the InChIKey of 4-methyl-N-[4-(1,4-oxazepan-4-ylmethyl)phenyl]benzamide?
The InChIKey is MSJPTLVRRUSLPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-16-3-7-18(8-4-16)20(23)21-19-9-5-17(6-10-19)15-22-11-2-13-24-14-12-22/h3-10H,2,11-15H2,1H3,(H,21,23).
What are the key properties of 4-methyl-N-[4-(1,4-oxazepan-4-ylmethyl)phenyl]benzamide?
4-methyl-N-[4-(1,4-oxazepan-4-ylmethyl)phenyl]benzamide has a molecular weight of 324.42 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[4-(1,4-oxazepan-4-ylmethyl)phenyl]benzamide is sourced from PubChem (CID 166858230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).