N-acetyl-N-(2-cyanospiro[4H-naphthalene-3,1'-cyclohexane]-1-yl)acetamide

C20H22N2O2 — CID 824698

IUPACN-acetyl-N-(2-cyanospiro[4H-naphthalene-3,1'-cyclohexane]-1-yl)acetamide
SMILESCC(=O)N(C(C)=O)C1=C(C#N)C2(CCCCC2)Cc2ccccc21
InChIInChI=1S/C20H22N2O2/c1-14(23)22(15(2)24)19-17-9-5-4-8-16(17)12-20(18(19)13-21)10-6-3-7-11-20/h4-5,8-9H,3,6-7,10-12H2,1-2H3
InChIKeyXHFXECUMBGQKMK-UHFFFAOYSA-N
MW322.41 g/mol
LogP3.82
Rot. Bonds1

About N-acetyl-N-(2-cyanospiro[4H-naphthalene-3,1'-cyclohexane]-1-yl)acetamide

N-acetyl-N-(2-cyanospiro[4H-naphthalene-3,1'-cyclohexane]-1-yl)acetamide (PubChem CID 824698) has the molecular formula C20H22N2O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is N-acetyl-N-(2-cyanospiro[4H-naphthalene-3,1'-cyclohexane]-1-yl)acetamide.

Molecular Properties

Compound NameN-acetyl-N-(2-cyanospiro[4H-naphthalene-3,1'-cyclohexane]-1-yl)acetamide
PubChem CID824698
Molecular FormulaC20H22N2O2
Molecular Weight322.41 g/mol
Exact Mass322.17
IUPAC NameN-acetyl-N-(2-cyanospiro[4H-naphthalene-3,1'-cyclohexane]-1-yl)acetamide
SMILESCC(=O)N(C(C)=O)C1=C(C#N)C2(CCCCC2)Cc2ccccc21
InChIInChI=1S/C20H22N2O2/c1-14(23)22(15(2)24)19-17-9-5-4-8-16(17)12-20(18(19)13-21)10-6-3-7-11-20/h4-5,8-9H,3,6-7,10-12H2,1-2H3
InChIKeyXHFXECUMBGQKMK-UHFFFAOYSA-N
XLogP3.82
TPSA61.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-acetyl-N-(2-cyanospiro[4H-naphthalene-3,1'-cyclohexane]-1-yl)acetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-acetyl-N-(2-cyanospiro[4H-naphthalene-3,1'-cyclohexane]-1-yl)acetamide?
The IUPAC name of N-acetyl-N-(2-cyanospiro[4H-naphthalene-3,1'-cyclohexane]-1-yl)acetamide (CID 824698) is N-acetyl-N-(2-cyanospiro[4H-naphthalene-3,1'-cyclohexane]-1-yl)acetamide.
What is the SMILES notation for N-acetyl-N-(2-cyanospiro[4H-naphthalene-3,1'-cyclohexane]-1-yl)acetamide?
The canonical SMILES for N-acetyl-N-(2-cyanospiro[4H-naphthalene-3,1'-cyclohexane]-1-yl)acetamide is CC(=O)N(C(C)=O)C1=C(C#N)C2(CCCCC2)Cc2ccccc21.
What is the InChIKey of N-acetyl-N-(2-cyanospiro[4H-naphthalene-3,1'-cyclohexane]-1-yl)acetamide?
The InChIKey is XHFXECUMBGQKMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2/c1-14(23)22(15(2)24)19-17-9-5-4-8-16(17)12-20(18(19)13-21)10-6-3-7-11-20/h4-5,8-9H,3,6-7,10-12H2,1-2H3.
What are the key properties of N-acetyl-N-(2-cyanospiro[4H-naphthalene-3,1'-cyclohexane]-1-yl)acetamide?
N-acetyl-N-(2-cyanospiro[4H-naphthalene-3,1'-cyclohexane]-1-yl)acetamide has a molecular weight of 322.41 g/mol, XLogP of 3.82, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-acetyl-N-(2-cyanospiro[4H-naphthalene-3,1'-cyclohexane]-1-yl)acetamide is sourced from PubChem (CID 824698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).