N-(7-azaspiro[3.5]nonan-2-yl)-2-(3-naphthalen-1-yl-2,5-dihydropyrrol-1-yl)-2-oxoacetamide

C24H27N3O2 — CID 166271893

IUPACN-(7-azaspiro[3.5]nonan-2-yl)-2-(3-naphthalen-1-yl-2,5-dihydropyrrol-1-yl)-2-oxoacetamide
SMILESO=C(NC1CC2(CCNCC2)C1)C(=O)N1CC=C(c2cccc3ccccc23)C1
InChIInChI=1S/C24H27N3O2/c28-22(26-19-14-24(15-19)9-11-25-12-10-24)23(29)27-13-8-18(16-27)21-7-3-5-17-4-1-2-6-20(17)21/h1-8,19,25H,9-16H2,(H,26,28)
InChIKeyUPQFIZLXLUGWFW-UHFFFAOYSA-N
MW389.50 g/mol
LogP2.71
Rot. Bonds2

About N-(7-azaspiro[3.5]nonan-2-yl)-2-(3-naphthalen-1-yl-2,5-dihydropyrrol-1-yl)-2-oxoacetamide

N-(7-azaspiro[3.5]nonan-2-yl)-2-(3-naphthalen-1-yl-2,5-dihydropyrrol-1-yl)-2-oxoacetamide (PubChem CID 166271893) has the molecular formula C24H27N3O2 and a molecular weight of 389.50 g/mol. Its IUPAC name is N-(7-azaspiro[3.5]nonan-2-yl)-2-(3-naphthalen-1-yl-2,5-dihydropyrrol-1-yl)-2-oxoacetamide.

Molecular Properties

Compound NameN-(7-azaspiro[3.5]nonan-2-yl)-2-(3-naphthalen-1-yl-2,5-dihydropyrrol-1-yl)-2-oxoacetamide
PubChem CID166271893
Molecular FormulaC24H27N3O2
Molecular Weight389.50 g/mol
Exact Mass389.21
IUPAC NameN-(7-azaspiro[3.5]nonan-2-yl)-2-(3-naphthalen-1-yl-2,5-dihydropyrrol-1-yl)-2-oxoacetamide
SMILESO=C(NC1CC2(CCNCC2)C1)C(=O)N1CC=C(c2cccc3ccccc23)C1
InChIInChI=1S/C24H27N3O2/c28-22(26-19-14-24(15-19)9-11-25-12-10-24)23(29)27-13-8-18(16-27)21-7-3-5-17-4-1-2-6-20(17)21/h1-8,19,25H,9-16H2,(H,26,28)
InChIKeyUPQFIZLXLUGWFW-UHFFFAOYSA-N
XLogP2.71
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

[5-[(dimethylamino)methyl]-1H-pyrrol-2-yl]-(3-naphthalen-1-yl-2,5-dihydropyrrol-1-yl)methanone
CID 166363925
(3R)-2-methyl-N-(2-naphthalen-1-ylethyl)-2,8-diazaspiro[4.5]decane-3-carboxamide
CID 95863233
(5R)-5-(4-naphthalen-1-yl-3,6-dihydro-2H-pyridine-1-carbonyl)pyrrolidin-2-one
CID 95044705
2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)-1-(4-naphthalen-1-yl-3,6-dihydro-2H-pyridin-1-yl)ethanone
CID 56800121
2-naphthalen-1-yl-N-piperidin-3-ylacetamide;hydrochloride
CID 119427587
2-methyl-5-naphthalen-1-yl-3,6-dihydro-1H-pyridazine
CID 141022219
N-[(3S)-pyrrolidin-3-yl]naphthalene-1-carboxamide
CID 79689471
N-(7-azaspiro[3.5]nonan-2-yl)-4-methyl-2-oxo-1-(2-phenylethyl)pyridine-3-carboxamide;hydrochloride
CID 172912279
(3-aminopyrazin-2-yl)-(4-naphthalen-1-yl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 95048310
1-naphthalen-1-yl-3-piperidin-4-ylurea
CID 16790595
1-methyl-6-(4-naphthalen-1-yl-3,6-dihydro-2H-pyridine-1-carbonyl)pyrido[2,3-d]pyrimidine-2,4-dione
CID 166201177
2-(3-methyl-1,1-dioxo-1,2-thiazolidin-3-yl)-1-[3-(2-methylphenyl)-2,5-dihydropyrrol-1-yl]ethanone
CID 167828857

Frequently Asked Questions

What is the IUPAC name of N-(7-azaspiro[3.5]nonan-2-yl)-2-(3-naphthalen-1-yl-2,5-dihydropyrrol-1-yl)-2-oxoacetamide?
The IUPAC name of N-(7-azaspiro[3.5]nonan-2-yl)-2-(3-naphthalen-1-yl-2,5-dihydropyrrol-1-yl)-2-oxoacetamide (CID 166271893) is N-(7-azaspiro[3.5]nonan-2-yl)-2-(3-naphthalen-1-yl-2,5-dihydropyrrol-1-yl)-2-oxoacetamide.
What is the SMILES notation for N-(7-azaspiro[3.5]nonan-2-yl)-2-(3-naphthalen-1-yl-2,5-dihydropyrrol-1-yl)-2-oxoacetamide?
The canonical SMILES for N-(7-azaspiro[3.5]nonan-2-yl)-2-(3-naphthalen-1-yl-2,5-dihydropyrrol-1-yl)-2-oxoacetamide is O=C(NC1CC2(CCNCC2)C1)C(=O)N1CC=C(c2cccc3ccccc23)C1.
What is the InChIKey of N-(7-azaspiro[3.5]nonan-2-yl)-2-(3-naphthalen-1-yl-2,5-dihydropyrrol-1-yl)-2-oxoacetamide?
The InChIKey is UPQFIZLXLUGWFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O2/c28-22(26-19-14-24(15-19)9-11-25-12-10-24)23(29)27-13-8-18(16-27)21-7-3-5-17-4-1-2-6-20(17)21/h1-8,19,25H,9-16H2,(H,26,28).
What are the key properties of N-(7-azaspiro[3.5]nonan-2-yl)-2-(3-naphthalen-1-yl-2,5-dihydropyrrol-1-yl)-2-oxoacetamide?
N-(7-azaspiro[3.5]nonan-2-yl)-2-(3-naphthalen-1-yl-2,5-dihydropyrrol-1-yl)-2-oxoacetamide has a molecular weight of 389.50 g/mol, XLogP of 2.71, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-azaspiro[3.5]nonan-2-yl)-2-(3-naphthalen-1-yl-2,5-dihydropyrrol-1-yl)-2-oxoacetamide is sourced from PubChem (CID 166271893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).