N-[[(1R,3S)-1-(dimethylamino)-3-methylcyclohexyl]methyl]-2,2-dimethylmorpholine-4-carboxamide

C17H33N3O2 — CID 99631633

IUPACN-[[(1R,3S)-1-(dimethylamino)-3-methylcyclohexyl]methyl]-2,2-dimethylmorpholine-4-carboxamide
SMILESC[C@H]1CCC[C@@](CNC(=O)N2CCOC(C)(C)C2)(N(C)C)C1
InChIInChI=1S/C17H33N3O2/c1-14-7-6-8-17(11-14,19(4)5)12-18-15(21)20-9-10-22-16(2,3)13-20/h14H,6-13H2,1-5H3,(H,18,21)/t14-,17+/m0/s1
InChIKeyBTWQPFCLROULFB-WMLDXEAASA-N
MW311.47 g/mol
LogP2.32
Rot. Bonds3

About N-[[(1R,3S)-1-(dimethylamino)-3-methylcyclohexyl]methyl]-2,2-dimethylmorpholine-4-carboxamide

N-[[(1R,3S)-1-(dimethylamino)-3-methylcyclohexyl]methyl]-2,2-dimethylmorpholine-4-carboxamide (PubChem CID 99631633) has the molecular formula C17H33N3O2 and a molecular weight of 311.47 g/mol. Its IUPAC name is N-[[(1R,3S)-1-(dimethylamino)-3-methylcyclohexyl]methyl]-2,2-dimethylmorpholine-4-carboxamide.

Molecular Properties

Compound NameN-[[(1R,3S)-1-(dimethylamino)-3-methylcyclohexyl]methyl]-2,2-dimethylmorpholine-4-carboxamide
PubChem CID99631633
Molecular FormulaC17H33N3O2
Molecular Weight311.47 g/mol
Exact Mass311.26
IUPAC NameN-[[(1R,3S)-1-(dimethylamino)-3-methylcyclohexyl]methyl]-2,2-dimethylmorpholine-4-carboxamide
SMILESC[C@H]1CCC[C@@](CNC(=O)N2CCOC(C)(C)C2)(N(C)C)C1
InChIInChI=1S/C17H33N3O2/c1-14-7-6-8-17(11-14,19(4)5)12-18-15(21)20-9-10-22-16(2,3)13-20/h14H,6-13H2,1-5H3,(H,18,21)/t14-,17+/m0/s1
InChIKeyBTWQPFCLROULFB-WMLDXEAASA-N
XLogP2.32
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.47
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[(1R,3S)-1-(dimethylamino)-3-methylcyclohexyl]methyl]-2,2-dimethylmorpholine-4-carboxamide?
The IUPAC name of N-[[(1R,3S)-1-(dimethylamino)-3-methylcyclohexyl]methyl]-2,2-dimethylmorpholine-4-carboxamide (CID 99631633) is N-[[(1R,3S)-1-(dimethylamino)-3-methylcyclohexyl]methyl]-2,2-dimethylmorpholine-4-carboxamide.
What is the SMILES notation for N-[[(1R,3S)-1-(dimethylamino)-3-methylcyclohexyl]methyl]-2,2-dimethylmorpholine-4-carboxamide?
The canonical SMILES for N-[[(1R,3S)-1-(dimethylamino)-3-methylcyclohexyl]methyl]-2,2-dimethylmorpholine-4-carboxamide is C[C@H]1CCC[C@@](CNC(=O)N2CCOC(C)(C)C2)(N(C)C)C1.
What is the InChIKey of N-[[(1R,3S)-1-(dimethylamino)-3-methylcyclohexyl]methyl]-2,2-dimethylmorpholine-4-carboxamide?
The InChIKey is BTWQPFCLROULFB-WMLDXEAASA-N. The full InChI is InChI=1S/C17H33N3O2/c1-14-7-6-8-17(11-14,19(4)5)12-18-15(21)20-9-10-22-16(2,3)13-20/h14H,6-13H2,1-5H3,(H,18,21)/t14-,17+/m0/s1.
What are the key properties of N-[[(1R,3S)-1-(dimethylamino)-3-methylcyclohexyl]methyl]-2,2-dimethylmorpholine-4-carboxamide?
N-[[(1R,3S)-1-(dimethylamino)-3-methylcyclohexyl]methyl]-2,2-dimethylmorpholine-4-carboxamide has a molecular weight of 311.47 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1R,3S)-1-(dimethylamino)-3-methylcyclohexyl]methyl]-2,2-dimethylmorpholine-4-carboxamide is sourced from PubChem (CID 99631633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).