7-methyl-N-naphthalen-1-yl-6-oxo-2,7-diazaspiro[4.5]decane-2-carboxamide

C20H23N3O2 — CID 56755645

IUPAC7-methyl-N-naphthalen-1-yl-6-oxo-2,7-diazaspiro[4.5]decane-2-carboxamide
SMILESCN1CCCC2(CCN(C(=O)Nc3cccc4ccccc34)C2)C1=O
InChIInChI=1S/C20H23N3O2/c1-22-12-5-10-20(18(22)24)11-13-23(14-20)19(25)21-17-9-4-7-15-6-2-3-8-16(15)17/h2-4,6-9H,5,10-14H2,1H3,(H,21,25)
InChIKeyLQXITWSHUILKFW-UHFFFAOYSA-N
MW337.42 g/mol
LogP3.32
Rot. Bonds1

About 7-methyl-N-naphthalen-1-yl-6-oxo-2,7-diazaspiro[4.5]decane-2-carboxamide

7-methyl-N-naphthalen-1-yl-6-oxo-2,7-diazaspiro[4.5]decane-2-carboxamide (PubChem CID 56755645) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is 7-methyl-N-naphthalen-1-yl-6-oxo-2,7-diazaspiro[4.5]decane-2-carboxamide.

Molecular Properties

Compound Name7-methyl-N-naphthalen-1-yl-6-oxo-2,7-diazaspiro[4.5]decane-2-carboxamide
PubChem CID56755645
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC Name7-methyl-N-naphthalen-1-yl-6-oxo-2,7-diazaspiro[4.5]decane-2-carboxamide
SMILESCN1CCCC2(CCN(C(=O)Nc3cccc4ccccc34)C2)C1=O
InChIInChI=1S/C20H23N3O2/c1-22-12-5-10-20(18(22)24)11-13-23(14-20)19(25)21-17-9-4-7-15-6-2-3-8-16(15)17/h2-4,6-9H,5,10-14H2,1H3,(H,21,25)
InChIKeyLQXITWSHUILKFW-UHFFFAOYSA-N
XLogP3.32
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms25
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-N-naphthalen-1-yl-6-oxo-2,7-diazaspiro[4.5]decane-2-carboxamide?
The IUPAC name of 7-methyl-N-naphthalen-1-yl-6-oxo-2,7-diazaspiro[4.5]decane-2-carboxamide (CID 56755645) is 7-methyl-N-naphthalen-1-yl-6-oxo-2,7-diazaspiro[4.5]decane-2-carboxamide.
What is the SMILES notation for 7-methyl-N-naphthalen-1-yl-6-oxo-2,7-diazaspiro[4.5]decane-2-carboxamide?
The canonical SMILES for 7-methyl-N-naphthalen-1-yl-6-oxo-2,7-diazaspiro[4.5]decane-2-carboxamide is CN1CCCC2(CCN(C(=O)Nc3cccc4ccccc34)C2)C1=O.
What is the InChIKey of 7-methyl-N-naphthalen-1-yl-6-oxo-2,7-diazaspiro[4.5]decane-2-carboxamide?
The InChIKey is LQXITWSHUILKFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-22-12-5-10-20(18(22)24)11-13-23(14-20)19(25)21-17-9-4-7-15-6-2-3-8-16(15)17/h2-4,6-9H,5,10-14H2,1H3,(H,21,25).
What are the key properties of 7-methyl-N-naphthalen-1-yl-6-oxo-2,7-diazaspiro[4.5]decane-2-carboxamide?
7-methyl-N-naphthalen-1-yl-6-oxo-2,7-diazaspiro[4.5]decane-2-carboxamide has a molecular weight of 337.42 g/mol, XLogP of 3.32, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-N-naphthalen-1-yl-6-oxo-2,7-diazaspiro[4.5]decane-2-carboxamide is sourced from PubChem (CID 56755645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).