N-[4-(azepan-1-yl)phenyl]-2-(4-methylphenyl)acetamide

C21H26N2O — CID 112985752

IUPACN-[4-(azepan-1-yl)phenyl]-2-(4-methylphenyl)acetamide
SMILESCc1ccc(CC(=O)Nc2ccc(N3CCCCCC3)cc2)cc1
InChIInChI=1S/C21H26N2O/c1-17-6-8-18(9-7-17)16-21(24)22-19-10-12-20(13-11-19)23-14-4-2-3-5-15-23/h6-13H,2-5,14-16H2,1H3,(H,22,24)
InChIKeyAPHGLRVCJSYSIH-UHFFFAOYSA-N
MW322.45 g/mol
LogP4.56
Rot. Bonds4

About N-[4-(azepan-1-yl)phenyl]-2-(4-methylphenyl)acetamide

N-[4-(azepan-1-yl)phenyl]-2-(4-methylphenyl)acetamide (PubChem CID 112985752) has the molecular formula C21H26N2O and a molecular weight of 322.45 g/mol. Its IUPAC name is N-[4-(azepan-1-yl)phenyl]-2-(4-methylphenyl)acetamide.

Molecular Properties

Compound NameN-[4-(azepan-1-yl)phenyl]-2-(4-methylphenyl)acetamide
PubChem CID112985752
Molecular FormulaC21H26N2O
Molecular Weight322.45 g/mol
Exact Mass322.20
IUPAC NameN-[4-(azepan-1-yl)phenyl]-2-(4-methylphenyl)acetamide
SMILESCc1ccc(CC(=O)Nc2ccc(N3CCCCCC3)cc2)cc1
InChIInChI=1S/C21H26N2O/c1-17-6-8-18(9-7-17)16-21(24)22-19-10-12-20(13-11-19)23-14-4-2-3-5-15-23/h6-13H,2-5,14-16H2,1H3,(H,22,24)
InChIKeyAPHGLRVCJSYSIH-UHFFFAOYSA-N
XLogP4.56
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[4-(4-methylpiperazin-1-yl)phenyl]-2-(4-pyrrolidin-1-ylphenyl)acetamide
CID 110409810
2-[(4-methylphenyl)methylsulfanyl]-N-(4-piperidin-1-ylphenyl)acetamide
CID 18270309
N-[4-(azepan-1-yl)phenyl]-2-phenylacetamide
CID 16620353
N-[4-(dimethylamino)phenyl]-2-(4-piperidin-1-ylphenyl)acetamide
CID 110650708
N-(4-acetylphenyl)-2-(4-pyrrolidin-1-ylphenyl)acetamide
CID 110409479
methyl 4-[[2-(4-piperidin-1-ylphenyl)acetyl]amino]benzoate
CID 110409606
N-(3-methylphenyl)-2-(4-pyrrolidin-1-ylphenyl)acetamide
CID 110649572
2-(4-methylphenyl)-N-[4-(piperidine-1-carbonyl)phenyl]acetamide
CID 6468250
2-(4-methylphenyl)-N-(2-piperidin-1-ylpyrimidin-5-yl)acetamide
CID 53164666
2-(4-methylphenyl)-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide
CID 16563389
2-(4-chlorophenyl)-N-[2-oxo-2-(4-pyrrolidin-1-ylanilino)ethyl]acetamide
CID 113000176
N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(4-methylphenyl)acetamide
CID 1291427

Frequently Asked Questions

What is the IUPAC name of N-[4-(azepan-1-yl)phenyl]-2-(4-methylphenyl)acetamide?
The IUPAC name of N-[4-(azepan-1-yl)phenyl]-2-(4-methylphenyl)acetamide (CID 112985752) is N-[4-(azepan-1-yl)phenyl]-2-(4-methylphenyl)acetamide.
What is the SMILES notation for N-[4-(azepan-1-yl)phenyl]-2-(4-methylphenyl)acetamide?
The canonical SMILES for N-[4-(azepan-1-yl)phenyl]-2-(4-methylphenyl)acetamide is Cc1ccc(CC(=O)Nc2ccc(N3CCCCCC3)cc2)cc1.
What is the InChIKey of N-[4-(azepan-1-yl)phenyl]-2-(4-methylphenyl)acetamide?
The InChIKey is APHGLRVCJSYSIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O/c1-17-6-8-18(9-7-17)16-21(24)22-19-10-12-20(13-11-19)23-14-4-2-3-5-15-23/h6-13H,2-5,14-16H2,1H3,(H,22,24).
What are the key properties of N-[4-(azepan-1-yl)phenyl]-2-(4-methylphenyl)acetamide?
N-[4-(azepan-1-yl)phenyl]-2-(4-methylphenyl)acetamide has a molecular weight of 322.45 g/mol, XLogP of 4.56, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(azepan-1-yl)phenyl]-2-(4-methylphenyl)acetamide is sourced from PubChem (CID 112985752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).