4-(dimethylamino)-N-(6-phenyl-6-azaspiro[2.5]octan-2-yl)naphthalene-1-carboxamide

C26H29N3O — CID 56962087

IUPAC4-(dimethylamino)-N-(6-phenyl-6-azaspiro[2.5]octan-2-yl)naphthalene-1-carboxamide
SMILESCN(C)c1ccc(C(=O)NC2CC23CCN(c2ccccc2)CC3)c2ccccc12
InChIInChI=1S/C26H29N3O/c1-28(2)23-13-12-22(20-10-6-7-11-21(20)23)25(30)27-24-18-26(24)14-16-29(17-15-26)19-8-4-3-5-9-19/h3-13,24H,14-18H2,1-2H3,(H,27,30)
InChIKeyYRSKXNMLVOESOK-UHFFFAOYSA-N
MW399.54 g/mol
LogP4.69
Rot. Bonds4

About 4-(dimethylamino)-N-(6-phenyl-6-azaspiro[2.5]octan-2-yl)naphthalene-1-carboxamide

4-(dimethylamino)-N-(6-phenyl-6-azaspiro[2.5]octan-2-yl)naphthalene-1-carboxamide (PubChem CID 56962087) has the molecular formula C26H29N3O and a molecular weight of 399.54 g/mol. Its IUPAC name is 4-(dimethylamino)-N-(6-phenyl-6-azaspiro[2.5]octan-2-yl)naphthalene-1-carboxamide.

Molecular Properties

Compound Name4-(dimethylamino)-N-(6-phenyl-6-azaspiro[2.5]octan-2-yl)naphthalene-1-carboxamide
PubChem CID56962087
Molecular FormulaC26H29N3O
Molecular Weight399.54 g/mol
Exact Mass399.23
IUPAC Name4-(dimethylamino)-N-(6-phenyl-6-azaspiro[2.5]octan-2-yl)naphthalene-1-carboxamide
SMILESCN(C)c1ccc(C(=O)NC2CC23CCN(c2ccccc2)CC3)c2ccccc12
InChIInChI=1S/C26H29N3O/c1-28(2)23-13-12-22(20-10-6-7-11-21(20)23)25(30)27-24-18-26(24)14-16-29(17-15-26)19-8-4-3-5-9-19/h3-13,24H,14-18H2,1-2H3,(H,27,30)
InChIKeyYRSKXNMLVOESOK-UHFFFAOYSA-N
XLogP4.69
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.54
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-N-(6-phenyl-6-azaspiro[2.5]octan-2-yl)naphthalene-1-carboxamide?
The IUPAC name of 4-(dimethylamino)-N-(6-phenyl-6-azaspiro[2.5]octan-2-yl)naphthalene-1-carboxamide (CID 56962087) is 4-(dimethylamino)-N-(6-phenyl-6-azaspiro[2.5]octan-2-yl)naphthalene-1-carboxamide.
What is the SMILES notation for 4-(dimethylamino)-N-(6-phenyl-6-azaspiro[2.5]octan-2-yl)naphthalene-1-carboxamide?
The canonical SMILES for 4-(dimethylamino)-N-(6-phenyl-6-azaspiro[2.5]octan-2-yl)naphthalene-1-carboxamide is CN(C)c1ccc(C(=O)NC2CC23CCN(c2ccccc2)CC3)c2ccccc12.
What is the InChIKey of 4-(dimethylamino)-N-(6-phenyl-6-azaspiro[2.5]octan-2-yl)naphthalene-1-carboxamide?
The InChIKey is YRSKXNMLVOESOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O/c1-28(2)23-13-12-22(20-10-6-7-11-21(20)23)25(30)27-24-18-26(24)14-16-29(17-15-26)19-8-4-3-5-9-19/h3-13,24H,14-18H2,1-2H3,(H,27,30).
What are the key properties of 4-(dimethylamino)-N-(6-phenyl-6-azaspiro[2.5]octan-2-yl)naphthalene-1-carboxamide?
4-(dimethylamino)-N-(6-phenyl-6-azaspiro[2.5]octan-2-yl)naphthalene-1-carboxamide has a molecular weight of 399.54 g/mol, XLogP of 4.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-N-(6-phenyl-6-azaspiro[2.5]octan-2-yl)naphthalene-1-carboxamide is sourced from PubChem (CID 56962087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).