2-(1,4-diazaspiro[5.5]undecan-1-yl)-N-methyl-N-[(2-methylphenyl)methyl]acetamide;hydrochloride

C20H32ClN3O — CID 119933281

IUPAC2-(1,4-diazaspiro[5.5]undecan-1-yl)-N-methyl-N-[(2-methylphenyl)methyl]acetamide;hydrochloride
SMILESCc1ccccc1CN(C)C(=O)CN1CCNCC12CCCCC2.Cl
InChIInChI=1S/C20H31N3O.ClH/c1-17-8-4-5-9-18(17)14-22(2)19(24)15-23-13-12-21-16-20(23)10-6-3-7-11-20;/h4-5,8-9,21H,3,6-7,10-16H2,1-2H3;1H
InChIKeyGQQNEQGXIZPDIA-UHFFFAOYSA-N
MW365.95 g/mol
LogP2.98
Rot. Bonds4

About 2-(1,4-diazaspiro[5.5]undecan-1-yl)-N-methyl-N-[(2-methylphenyl)methyl]acetamide;hydrochloride

2-(1,4-diazaspiro[5.5]undecan-1-yl)-N-methyl-N-[(2-methylphenyl)methyl]acetamide;hydrochloride (PubChem CID 119933281) has the molecular formula C20H32ClN3O and a molecular weight of 365.95 g/mol. Its IUPAC name is 2-(1,4-diazaspiro[5.5]undecan-1-yl)-N-methyl-N-[(2-methylphenyl)methyl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-(1,4-diazaspiro[5.5]undecan-1-yl)-N-methyl-N-[(2-methylphenyl)methyl]acetamide;hydrochloride
PubChem CID119933281
Molecular FormulaC20H32ClN3O
Molecular Weight365.95 g/mol
Exact Mass365.22
IUPAC Name2-(1,4-diazaspiro[5.5]undecan-1-yl)-N-methyl-N-[(2-methylphenyl)methyl]acetamide;hydrochloride
SMILESCc1ccccc1CN(C)C(=O)CN1CCNCC12CCCCC2.Cl
InChIInChI=1S/C20H31N3O.ClH/c1-17-8-4-5-9-18(17)14-22(2)19(24)15-23-13-12-21-16-20(23)10-6-3-7-11-20;/h4-5,8-9,21H,3,6-7,10-16H2,1-2H3;1H
InChIKeyGQQNEQGXIZPDIA-UHFFFAOYSA-N
XLogP2.98
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.95
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1,4-diazaspiro[5.5]undecan-1-yl)-N-methyl-N-[(2-methylphenyl)methyl]acetamide;hydrochloride?
The IUPAC name of 2-(1,4-diazaspiro[5.5]undecan-1-yl)-N-methyl-N-[(2-methylphenyl)methyl]acetamide;hydrochloride (CID 119933281) is 2-(1,4-diazaspiro[5.5]undecan-1-yl)-N-methyl-N-[(2-methylphenyl)methyl]acetamide;hydrochloride.
What is the SMILES notation for 2-(1,4-diazaspiro[5.5]undecan-1-yl)-N-methyl-N-[(2-methylphenyl)methyl]acetamide;hydrochloride?
The canonical SMILES for 2-(1,4-diazaspiro[5.5]undecan-1-yl)-N-methyl-N-[(2-methylphenyl)methyl]acetamide;hydrochloride is Cc1ccccc1CN(C)C(=O)CN1CCNCC12CCCCC2.Cl.
What is the InChIKey of 2-(1,4-diazaspiro[5.5]undecan-1-yl)-N-methyl-N-[(2-methylphenyl)methyl]acetamide;hydrochloride?
The InChIKey is GQQNEQGXIZPDIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O.ClH/c1-17-8-4-5-9-18(17)14-22(2)19(24)15-23-13-12-21-16-20(23)10-6-3-7-11-20;/h4-5,8-9,21H,3,6-7,10-16H2,1-2H3;1H.
What are the key properties of 2-(1,4-diazaspiro[5.5]undecan-1-yl)-N-methyl-N-[(2-methylphenyl)methyl]acetamide;hydrochloride?
2-(1,4-diazaspiro[5.5]undecan-1-yl)-N-methyl-N-[(2-methylphenyl)methyl]acetamide;hydrochloride has a molecular weight of 365.95 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-diazaspiro[5.5]undecan-1-yl)-N-methyl-N-[(2-methylphenyl)methyl]acetamide;hydrochloride is sourced from PubChem (CID 119933281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).