N-(2-cyanospiro[4H-naphthalene-3,1'-cycloheptane]-1-yl)-2-pyrrolidin-1-ylacetamide

C23H29N3O — CID 172643647

IUPACN-(2-cyanospiro[4H-naphthalene-3,1'-cycloheptane]-1-yl)-2-pyrrolidin-1-ylacetamide
SMILESN#CC1=C(NC(=O)CN2CCCC2)c2ccccc2CC12CCCCCC2
InChIInChI=1S/C23H29N3O/c24-16-20-22(25-21(27)17-26-13-7-8-14-26)19-10-4-3-9-18(19)15-23(20)11-5-1-2-6-12-23/h3-4,9-10H,1-2,5-8,11-15,17H2,(H,25,27)
InChIKeyZHBUEVXVEKOUFY-UHFFFAOYSA-N
MW363.51 g/mol
LogP4.03
Rot. Bonds3

About N-(2-cyanospiro[4H-naphthalene-3,1'-cycloheptane]-1-yl)-2-pyrrolidin-1-ylacetamide

N-(2-cyanospiro[4H-naphthalene-3,1'-cycloheptane]-1-yl)-2-pyrrolidin-1-ylacetamide (PubChem CID 172643647) has the molecular formula C23H29N3O and a molecular weight of 363.51 g/mol. Its IUPAC name is N-(2-cyanospiro[4H-naphthalene-3,1'-cycloheptane]-1-yl)-2-pyrrolidin-1-ylacetamide.

Molecular Properties

Compound NameN-(2-cyanospiro[4H-naphthalene-3,1'-cycloheptane]-1-yl)-2-pyrrolidin-1-ylacetamide
PubChem CID172643647
Molecular FormulaC23H29N3O
Molecular Weight363.51 g/mol
Exact Mass363.23
IUPAC NameN-(2-cyanospiro[4H-naphthalene-3,1'-cycloheptane]-1-yl)-2-pyrrolidin-1-ylacetamide
SMILESN#CC1=C(NC(=O)CN2CCCC2)c2ccccc2CC12CCCCCC2
InChIInChI=1S/C23H29N3O/c24-16-20-22(25-21(27)17-26-13-7-8-14-26)19-10-4-3-9-18(19)15-23(20)11-5-1-2-6-12-23/h3-4,9-10H,1-2,5-8,11-15,17H2,(H,25,27)
InChIKeyZHBUEVXVEKOUFY-UHFFFAOYSA-N
XLogP4.03
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.51
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-cyanospiro[4H-naphthalene-3,1'-cyclohexane]-1-yl)-3-methylurea
CID 29136827
2-(azepan-1-yl)-N-(2-propanoyl-3H-inden-1-yl)acetamide
CID 177002245
N-(4-cyanophenyl)-2-piperidin-1-ylacetamide
CID 2697414
N-[4-(cyanomethyl)phenyl]-2-piperidin-1-ylacetamide
CID 9032808
2-piperidin-1-yl-N-pyridin-2-ylacetamide
CID 12780526
2-(azepan-1-yl)-N-(2-chlorophenyl)acetamide
CID 2070988
ethyl 1-(butanoylamino)spiro[4H-naphthalene-3,1'-cyclopentane]-2-carboxylate
CID 3112840
2-[4-[2-[(1-cyanocycloheptyl)amino]-2-oxoethyl]piperazin-1-yl]-N-(2-ethylphenyl)acetamide
CID 55538320
N-(2-phenyl-1,3-dihydroinden-2-yl)-2-pyrrolidin-1-ylacetamide
CID 19846169
N-(9,10-dioxoanthracen-1-yl)-2-piperidin-1-ylacetamide
CID 3849711
2-(azocan-1-yl)-N-(1-cyanocyclopentyl)acetamide
CID 2472458
2-[4-(2-cyanophenyl)-1,4-diazepan-1-yl]-N-(2,6-dichlorophenyl)acetamide
CID 60511172

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanospiro[4H-naphthalene-3,1'-cycloheptane]-1-yl)-2-pyrrolidin-1-ylacetamide?
The IUPAC name of N-(2-cyanospiro[4H-naphthalene-3,1'-cycloheptane]-1-yl)-2-pyrrolidin-1-ylacetamide (CID 172643647) is N-(2-cyanospiro[4H-naphthalene-3,1'-cycloheptane]-1-yl)-2-pyrrolidin-1-ylacetamide.
What is the SMILES notation for N-(2-cyanospiro[4H-naphthalene-3,1'-cycloheptane]-1-yl)-2-pyrrolidin-1-ylacetamide?
The canonical SMILES for N-(2-cyanospiro[4H-naphthalene-3,1'-cycloheptane]-1-yl)-2-pyrrolidin-1-ylacetamide is N#CC1=C(NC(=O)CN2CCCC2)c2ccccc2CC12CCCCCC2.
What is the InChIKey of N-(2-cyanospiro[4H-naphthalene-3,1'-cycloheptane]-1-yl)-2-pyrrolidin-1-ylacetamide?
The InChIKey is ZHBUEVXVEKOUFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O/c24-16-20-22(25-21(27)17-26-13-7-8-14-26)19-10-4-3-9-18(19)15-23(20)11-5-1-2-6-12-23/h3-4,9-10H,1-2,5-8,11-15,17H2,(H,25,27).
What are the key properties of N-(2-cyanospiro[4H-naphthalene-3,1'-cycloheptane]-1-yl)-2-pyrrolidin-1-ylacetamide?
N-(2-cyanospiro[4H-naphthalene-3,1'-cycloheptane]-1-yl)-2-pyrrolidin-1-ylacetamide has a molecular weight of 363.51 g/mol, XLogP of 4.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanospiro[4H-naphthalene-3,1'-cycloheptane]-1-yl)-2-pyrrolidin-1-ylacetamide is sourced from PubChem (CID 172643647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).