N,4-dimethyl-N-[(5R,6S)-1-methyl-1-azaspiro[4.5]decan-6-yl]benzamide

C19H28N2O — CID 14548217

IUPACN,4-dimethyl-N-[(5R,6S)-1-methyl-1-azaspiro[4.5]decan-6-yl]benzamide
SMILESCc1ccc(C(=O)N(C)[C@H]2CCCC[C@@]23CCCN3C)cc1
InChIInChI=1S/C19H28N2O/c1-15-8-10-16(11-9-15)18(22)21(3)17-7-4-5-12-19(17)13-6-14-20(19)2/h8-11,17H,4-7,12-14H2,1-3H3/t17-,19+/m0/s1
InChIKeySVDFQOGPLWODAK-PKOBYXMFSA-N
MW300.45 g/mol
LogP3.47
Rot. Bonds2

About N,4-dimethyl-N-[(5R,6S)-1-methyl-1-azaspiro[4.5]decan-6-yl]benzamide

N,4-dimethyl-N-[(5R,6S)-1-methyl-1-azaspiro[4.5]decan-6-yl]benzamide (PubChem CID 14548217) has the molecular formula C19H28N2O and a molecular weight of 300.45 g/mol. Its IUPAC name is N,4-dimethyl-N-[(5R,6S)-1-methyl-1-azaspiro[4.5]decan-6-yl]benzamide.

Molecular Properties

Compound NameN,4-dimethyl-N-[(5R,6S)-1-methyl-1-azaspiro[4.5]decan-6-yl]benzamide
PubChem CID14548217
Molecular FormulaC19H28N2O
Molecular Weight300.45 g/mol
Exact Mass300.22
IUPAC NameN,4-dimethyl-N-[(5R,6S)-1-methyl-1-azaspiro[4.5]decan-6-yl]benzamide
SMILESCc1ccc(C(=O)N(C)[C@H]2CCCC[C@@]23CCCN3C)cc1
InChIInChI=1S/C19H28N2O/c1-15-8-10-16(11-9-15)18(22)21(3)17-7-4-5-12-19(17)13-6-14-20(19)2/h8-11,17H,4-7,12-14H2,1-3H3/t17-,19+/m0/s1
InChIKeySVDFQOGPLWODAK-PKOBYXMFSA-N
XLogP3.47
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.45
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-N-[(5R,6S)-1-methyl-1-azaspiro[4.5]decan-6-yl]benzamide?
The IUPAC name of N,4-dimethyl-N-[(5R,6S)-1-methyl-1-azaspiro[4.5]decan-6-yl]benzamide (CID 14548217) is N,4-dimethyl-N-[(5R,6S)-1-methyl-1-azaspiro[4.5]decan-6-yl]benzamide.
What is the SMILES notation for N,4-dimethyl-N-[(5R,6S)-1-methyl-1-azaspiro[4.5]decan-6-yl]benzamide?
The canonical SMILES for N,4-dimethyl-N-[(5R,6S)-1-methyl-1-azaspiro[4.5]decan-6-yl]benzamide is Cc1ccc(C(=O)N(C)[C@H]2CCCC[C@@]23CCCN3C)cc1.
What is the InChIKey of N,4-dimethyl-N-[(5R,6S)-1-methyl-1-azaspiro[4.5]decan-6-yl]benzamide?
The InChIKey is SVDFQOGPLWODAK-PKOBYXMFSA-N. The full InChI is InChI=1S/C19H28N2O/c1-15-8-10-16(11-9-15)18(22)21(3)17-7-4-5-12-19(17)13-6-14-20(19)2/h8-11,17H,4-7,12-14H2,1-3H3/t17-,19+/m0/s1.
What are the key properties of N,4-dimethyl-N-[(5R,6S)-1-methyl-1-azaspiro[4.5]decan-6-yl]benzamide?
N,4-dimethyl-N-[(5R,6S)-1-methyl-1-azaspiro[4.5]decan-6-yl]benzamide has a molecular weight of 300.45 g/mol, XLogP of 3.47, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-N-[(5R,6S)-1-methyl-1-azaspiro[4.5]decan-6-yl]benzamide is sourced from PubChem (CID 14548217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).