N-(2-hydroxyethyl)-N-methyl-1'-[2-(2-methylphenyl)ethyl]-5-oxospiro[7,8-dihydronaphthalene-6,2'-piperidine]-2-carboxamide

C27H34N2O3 — CID 70916510

IUPACN-(2-hydroxyethyl)-N-methyl-1'-[2-(2-methylphenyl)ethyl]-5-oxospiro[7,8-dihydronaphthalene-6,2'-piperidine]-2-carboxamide
SMILESCc1ccccc1CCN1CCCCC12CCc1cc(C(=O)N(C)CCO)ccc1C2=O
InChIInChI=1S/C27H34N2O3/c1-20-7-3-4-8-21(20)12-16-29-15-6-5-13-27(29)14-11-22-19-23(9-10-24(22)25(27)31)26(32)28(2)17-18-30/h3-4,7-10,19,30H,5-6,11-18H2,1-2H3
InChIKeyGLRYCEVPNKPEQQ-UHFFFAOYSA-N
MW434.58 g/mol
LogP3.66
Rot. Bonds6

About N-(2-hydroxyethyl)-N-methyl-1'-[2-(2-methylphenyl)ethyl]-5-oxospiro[7,8-dihydronaphthalene-6,2'-piperidine]-2-carboxamide

N-(2-hydroxyethyl)-N-methyl-1'-[2-(2-methylphenyl)ethyl]-5-oxospiro[7,8-dihydronaphthalene-6,2'-piperidine]-2-carboxamide (PubChem CID 70916510) has the molecular formula C27H34N2O3 and a molecular weight of 434.58 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-N-methyl-1'-[2-(2-methylphenyl)ethyl]-5-oxospiro[7,8-dihydronaphthalene-6,2'-piperidine]-2-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-N-methyl-1'-[2-(2-methylphenyl)ethyl]-5-oxospiro[7,8-dihydronaphthalene-6,2'-piperidine]-2-carboxamide
PubChem CID70916510
Molecular FormulaC27H34N2O3
Molecular Weight434.58 g/mol
Exact Mass434.26
IUPAC NameN-(2-hydroxyethyl)-N-methyl-1'-[2-(2-methylphenyl)ethyl]-5-oxospiro[7,8-dihydronaphthalene-6,2'-piperidine]-2-carboxamide
SMILESCc1ccccc1CCN1CCCCC12CCc1cc(C(=O)N(C)CCO)ccc1C2=O
InChIInChI=1S/C27H34N2O3/c1-20-7-3-4-8-21(20)12-16-29-15-6-5-13-27(29)14-11-22-19-23(9-10-24(22)25(27)31)26(32)28(2)17-18-30/h3-4,7-10,19,30H,5-6,11-18H2,1-2H3
InChIKeyGLRYCEVPNKPEQQ-UHFFFAOYSA-N
XLogP3.66
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.58
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-N-methyl-1'-[2-(2-methylphenyl)ethyl]-5-oxospiro[7,8-dihydronaphthalene-6,2'-piperidine]-2-carboxamide?
The IUPAC name of N-(2-hydroxyethyl)-N-methyl-1'-[2-(2-methylphenyl)ethyl]-5-oxospiro[7,8-dihydronaphthalene-6,2'-piperidine]-2-carboxamide (CID 70916510) is N-(2-hydroxyethyl)-N-methyl-1'-[2-(2-methylphenyl)ethyl]-5-oxospiro[7,8-dihydronaphthalene-6,2'-piperidine]-2-carboxamide.
What is the SMILES notation for N-(2-hydroxyethyl)-N-methyl-1'-[2-(2-methylphenyl)ethyl]-5-oxospiro[7,8-dihydronaphthalene-6,2'-piperidine]-2-carboxamide?
The canonical SMILES for N-(2-hydroxyethyl)-N-methyl-1'-[2-(2-methylphenyl)ethyl]-5-oxospiro[7,8-dihydronaphthalene-6,2'-piperidine]-2-carboxamide is Cc1ccccc1CCN1CCCCC12CCc1cc(C(=O)N(C)CCO)ccc1C2=O.
What is the InChIKey of N-(2-hydroxyethyl)-N-methyl-1'-[2-(2-methylphenyl)ethyl]-5-oxospiro[7,8-dihydronaphthalene-6,2'-piperidine]-2-carboxamide?
The InChIKey is GLRYCEVPNKPEQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N2O3/c1-20-7-3-4-8-21(20)12-16-29-15-6-5-13-27(29)14-11-22-19-23(9-10-24(22)25(27)31)26(32)28(2)17-18-30/h3-4,7-10,19,30H,5-6,11-18H2,1-2H3.
What are the key properties of N-(2-hydroxyethyl)-N-methyl-1'-[2-(2-methylphenyl)ethyl]-5-oxospiro[7,8-dihydronaphthalene-6,2'-piperidine]-2-carboxamide?
N-(2-hydroxyethyl)-N-methyl-1'-[2-(2-methylphenyl)ethyl]-5-oxospiro[7,8-dihydronaphthalene-6,2'-piperidine]-2-carboxamide has a molecular weight of 434.58 g/mol, XLogP of 3.66, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-N-methyl-1'-[2-(2-methylphenyl)ethyl]-5-oxospiro[7,8-dihydronaphthalene-6,2'-piperidine]-2-carboxamide is sourced from PubChem (CID 70916510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).