cycloheptyl 2-anilinoacetate

C15H21NO2 — CID 61303915

IUPACcycloheptyl 2-anilinoacetate
SMILESO=C(CNc1ccccc1)OC1CCCCCC1
InChIInChI=1S/C15H21NO2/c17-15(12-16-13-8-4-3-5-9-13)18-14-10-6-1-2-7-11-14/h3-5,8-9,14,16H,1-2,6-7,10-12H2
InChIKeyIQJXJNPSLBFKOT-UHFFFAOYSA-N
MW247.34 g/mol
LogP3.36
Rot. Bonds4

About cycloheptyl 2-anilinoacetate

cycloheptyl 2-anilinoacetate (PubChem CID 61303915) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is cycloheptyl 2-anilinoacetate.

Molecular Properties

Compound Namecycloheptyl 2-anilinoacetate
PubChem CID61303915
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Namecycloheptyl 2-anilinoacetate
SMILESO=C(CNc1ccccc1)OC1CCCCCC1
InChIInChI=1S/C15H21NO2/c17-15(12-16-13-8-4-3-5-9-13)18-14-10-6-1-2-7-11-14/h3-5,8-9,14,16H,1-2,6-7,10-12H2
InChIKeyIQJXJNPSLBFKOT-UHFFFAOYSA-N
XLogP3.36
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze cycloheptyl 2-anilinoacetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

cyclobutyl 3-anilinopropanoate
CID 62217585
cyclobutyl 2-(4-methylanilino)acetate
CID 62217583
cyclohexyl 2-(benzenesulfonamido)acetate
CID 4983511
cyclohexyl 2-[(1-hydroxy-1-phenylpropan-2-yl)amino]acetate
CID 110183811
cyclopentyl 2-(thiophen-2-ylamino)acetate
CID 18415694
cyclohexyl 2-phenylacetate;methyl 2-phenylacetate
CID 5314269
oxan-4-yl 2-(4-hydroxyanilino)acetate
CID 61287147
2-(4-cyclopentyloxyanilino)-N-phenylacetamide
CID 39998941
cyclododecyl 4-phenylbutanoate
CID 23159480
2-anilino-N-(cyclopentylmethyl)acetamide;hydrochloride
CID 119718704
2-anilino-1-cyclobutylethanone
CID 116555468
(3-methylcyclohexyl) 2-(4-chloroanilino)acetate
CID 61303304

Frequently Asked Questions

What is the IUPAC name of cycloheptyl 2-anilinoacetate?
The IUPAC name of cycloheptyl 2-anilinoacetate (CID 61303915) is cycloheptyl 2-anilinoacetate.
What is the SMILES notation for cycloheptyl 2-anilinoacetate?
The canonical SMILES for cycloheptyl 2-anilinoacetate is O=C(CNc1ccccc1)OC1CCCCCC1.
What is the InChIKey of cycloheptyl 2-anilinoacetate?
The InChIKey is IQJXJNPSLBFKOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c17-15(12-16-13-8-4-3-5-9-13)18-14-10-6-1-2-7-11-14/h3-5,8-9,14,16H,1-2,6-7,10-12H2.
What are the key properties of cycloheptyl 2-anilinoacetate?
cycloheptyl 2-anilinoacetate has a molecular weight of 247.34 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cycloheptyl 2-anilinoacetate is sourced from PubChem (CID 61303915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).