2-[acetyl(cycloheptyl)amino]-N-(4-acetylphenyl)acetamide

C19H26N2O3 — CID 113166396

IUPAC2-[acetyl(cycloheptyl)amino]-N-(4-acetylphenyl)acetamide
SMILESCC(=O)c1ccc(NC(=O)CN(C(C)=O)C2CCCCCC2)cc1
InChIInChI=1S/C19H26N2O3/c1-14(22)16-9-11-17(12-10-16)20-19(24)13-21(15(2)23)18-7-5-3-4-6-8-18/h9-12,18H,3-8,13H2,1-2H3,(H,20,24)
InChIKeyZEAXGTXDZDSJHL-UHFFFAOYSA-N
MW330.43 g/mol
LogP3.40
Rot. Bonds5

About 2-[acetyl(cycloheptyl)amino]-N-(4-acetylphenyl)acetamide

2-[acetyl(cycloheptyl)amino]-N-(4-acetylphenyl)acetamide (PubChem CID 113166396) has the molecular formula C19H26N2O3 and a molecular weight of 330.43 g/mol. Its IUPAC name is 2-[acetyl(cycloheptyl)amino]-N-(4-acetylphenyl)acetamide.

Molecular Properties

Compound Name2-[acetyl(cycloheptyl)amino]-N-(4-acetylphenyl)acetamide
PubChem CID113166396
Molecular FormulaC19H26N2O3
Molecular Weight330.43 g/mol
Exact Mass330.19
IUPAC Name2-[acetyl(cycloheptyl)amino]-N-(4-acetylphenyl)acetamide
SMILESCC(=O)c1ccc(NC(=O)CN(C(C)=O)C2CCCCCC2)cc1
InChIInChI=1S/C19H26N2O3/c1-14(22)16-9-11-17(12-10-16)20-19(24)13-21(15(2)23)18-7-5-3-4-6-8-18/h9-12,18H,3-8,13H2,1-2H3,(H,20,24)
InChIKeyZEAXGTXDZDSJHL-UHFFFAOYSA-N
XLogP3.40
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[acetyl(cyclopentyl)amino]-N-(4-methylphenyl)acetamide
CID 113159299
2-[acetyl(cyclohexyl)amino]-N-(4-ethylphenyl)acetamide
CID 113159508
2-[acetyl(cycloheptyl)amino]-N-(4-ethylphenyl)acetamide
CID 113166356
2-[acetyl(cyclopentyl)amino]-N-[4-(dimethylamino)phenyl]acetamide
CID 113159358
2-[acetyl(cyclopentyl)amino]-N-(4-ethylphenyl)acetamide
CID 113159310
2-[acetyl(cyclohexyl)amino]-N-(3,4-dimethylphenyl)acetamide
CID 113159503
2-[acetyl(cyclopropyl)amino]-N-(4-bromophenyl)acetamide
CID 113158424
2-[acetyl(cyclohexyl)amino]-N-(4-bromo-3-methylphenyl)acetamide
CID 113159571
2-[acetyl(cycloheptyl)amino]-N-(1,3-benzodioxol-5-yl)acetamide
CID 113166420
N-(4-acetylphenyl)-3-[cyclohexyl(methylsulfonyl)amino]propanamide
CID 113137489
2-[acetyl(cyclohexyl)amino]-N-(3-bromophenyl)acetamide
CID 113159568
N-tert-butyl-4-[[2-[cyclohexyl(methyl)amino]acetyl]amino]benzamide
CID 54817284

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl(cycloheptyl)amino]-N-(4-acetylphenyl)acetamide?
The IUPAC name of 2-[acetyl(cycloheptyl)amino]-N-(4-acetylphenyl)acetamide (CID 113166396) is 2-[acetyl(cycloheptyl)amino]-N-(4-acetylphenyl)acetamide.
What is the SMILES notation for 2-[acetyl(cycloheptyl)amino]-N-(4-acetylphenyl)acetamide?
The canonical SMILES for 2-[acetyl(cycloheptyl)amino]-N-(4-acetylphenyl)acetamide is CC(=O)c1ccc(NC(=O)CN(C(C)=O)C2CCCCCC2)cc1.
What is the InChIKey of 2-[acetyl(cycloheptyl)amino]-N-(4-acetylphenyl)acetamide?
The InChIKey is ZEAXGTXDZDSJHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O3/c1-14(22)16-9-11-17(12-10-16)20-19(24)13-21(15(2)23)18-7-5-3-4-6-8-18/h9-12,18H,3-8,13H2,1-2H3,(H,20,24).
What are the key properties of 2-[acetyl(cycloheptyl)amino]-N-(4-acetylphenyl)acetamide?
2-[acetyl(cycloheptyl)amino]-N-(4-acetylphenyl)acetamide has a molecular weight of 330.43 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl(cycloheptyl)amino]-N-(4-acetylphenyl)acetamide is sourced from PubChem (CID 113166396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).