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

C19H28N2O2 — CID 113166356

IUPAC2-[acetyl(cycloheptyl)amino]-N-(4-ethylphenyl)acetamide
SMILESCCc1ccc(NC(=O)CN(C(C)=O)C2CCCCCC2)cc1
InChIInChI=1S/C19H28N2O2/c1-3-16-10-12-17(13-11-16)20-19(23)14-21(15(2)22)18-8-6-4-5-7-9-18/h10-13,18H,3-9,14H2,1-2H3,(H,20,23)
InChIKeyDGJZEPQEIFKZFQ-UHFFFAOYSA-N
MW316.45 g/mol
LogP3.76
Rot. Bonds5

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

2-[acetyl(cycloheptyl)amino]-N-(4-ethylphenyl)acetamide (PubChem CID 113166356) has the molecular formula C19H28N2O2 and a molecular weight of 316.45 g/mol. Its IUPAC name is 2-[acetyl(cycloheptyl)amino]-N-(4-ethylphenyl)acetamide.

Molecular Properties

Compound Name2-[acetyl(cycloheptyl)amino]-N-(4-ethylphenyl)acetamide
PubChem CID113166356
Molecular FormulaC19H28N2O2
Molecular Weight316.45 g/mol
Exact Mass316.22
IUPAC Name2-[acetyl(cycloheptyl)amino]-N-(4-ethylphenyl)acetamide
SMILESCCc1ccc(NC(=O)CN(C(C)=O)C2CCCCCC2)cc1
InChIInChI=1S/C19H28N2O2/c1-3-16-10-12-17(13-11-16)20-19(23)14-21(15(2)22)18-8-6-4-5-7-9-18/h10-13,18H,3-9,14H2,1-2H3,(H,20,23)
InChIKeyDGJZEPQEIFKZFQ-UHFFFAOYSA-N
XLogP3.76
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.45
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[acetyl(cyclohexyl)amino]-N-(4-ethylphenyl)acetamide
CID 113159508
2-[acetyl(cyclopentyl)amino]-N-(4-ethylphenyl)acetamide
CID 113159310
2-[acetyl(cycloheptyl)amino]-N-(4-acetylphenyl)acetamide
CID 113166396
2-[acetyl(cyclopentyl)amino]-N-(4-methylphenyl)acetamide
CID 113159299
2-[acetyl(cyclopentyl)amino]-N-[4-(dimethylamino)phenyl]acetamide
CID 113159358
2-[acetyl(cyclohexyl)amino]-N-(3,4-dimethylphenyl)acetamide
CID 113159503
N-cycloheptyl-N'-(4-ethylphenyl)propanediamide
CID 108951571
2-[acetyl(cyclopropyl)amino]-N-(4-bromophenyl)acetamide
CID 113158424
2-[acetyl(cycloheptyl)amino]-N-(1,3-benzodioxol-5-yl)acetamide
CID 113166420
2-[acetyl(cyclohexyl)amino]-N-(4-bromo-3-methylphenyl)acetamide
CID 113159571
2-[acetyl(cyclopentyl)amino]-N-(4-phenylmethoxyphenyl)acetamide
CID 113159367
2-[(4-bromophenyl)sulfonyl-cyclohexylamino]-N-(4-ethylphenyl)acetamide
CID 126013240

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl(cycloheptyl)amino]-N-(4-ethylphenyl)acetamide?
The IUPAC name of 2-[acetyl(cycloheptyl)amino]-N-(4-ethylphenyl)acetamide (CID 113166356) is 2-[acetyl(cycloheptyl)amino]-N-(4-ethylphenyl)acetamide.
What is the SMILES notation for 2-[acetyl(cycloheptyl)amino]-N-(4-ethylphenyl)acetamide?
The canonical SMILES for 2-[acetyl(cycloheptyl)amino]-N-(4-ethylphenyl)acetamide is CCc1ccc(NC(=O)CN(C(C)=O)C2CCCCCC2)cc1.
What is the InChIKey of 2-[acetyl(cycloheptyl)amino]-N-(4-ethylphenyl)acetamide?
The InChIKey is DGJZEPQEIFKZFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O2/c1-3-16-10-12-17(13-11-16)20-19(23)14-21(15(2)22)18-8-6-4-5-7-9-18/h10-13,18H,3-9,14H2,1-2H3,(H,20,23).
What are the key properties of 2-[acetyl(cycloheptyl)amino]-N-(4-ethylphenyl)acetamide?
2-[acetyl(cycloheptyl)amino]-N-(4-ethylphenyl)acetamide has a molecular weight of 316.45 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl(cycloheptyl)amino]-N-(4-ethylphenyl)acetamide is sourced from PubChem (CID 113166356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).