1-[2-(dimethylamino)-2-oxoethyl]-N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]triazole-4-carboxamide

C17H30N6O3 — CID 136578962

IUPAC1-[2-(dimethylamino)-2-oxoethyl]-N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]triazole-4-carboxamide
SMILESCC1CN(C(C)(C)CNC(=O)c2cn(CC(=O)N(C)C)nn2)CC(C)O1
InChIInChI=1S/C17H30N6O3/c1-12-7-22(8-13(2)26-12)17(3,4)11-18-16(25)14-9-23(20-19-14)10-15(24)21(5)6/h9,12-13H,7-8,10-11H2,1-6H3,(H,18,25)
InChIKeyAXOXMQNKSVQVIS-UHFFFAOYSA-N
MW366.47 g/mol
LogP-0.02
Rot. Bonds6

About 1-[2-(dimethylamino)-2-oxoethyl]-N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]triazole-4-carboxamide

1-[2-(dimethylamino)-2-oxoethyl]-N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]triazole-4-carboxamide (PubChem CID 136578962) has the molecular formula C17H30N6O3 and a molecular weight of 366.47 g/mol. Its IUPAC name is 1-[2-(dimethylamino)-2-oxoethyl]-N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]triazole-4-carboxamide.

Molecular Properties

Compound Name1-[2-(dimethylamino)-2-oxoethyl]-N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]triazole-4-carboxamide
PubChem CID136578962
Molecular FormulaC17H30N6O3
Molecular Weight366.47 g/mol
Exact Mass366.24
IUPAC Name1-[2-(dimethylamino)-2-oxoethyl]-N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]triazole-4-carboxamide
SMILESCC1CN(C(C)(C)CNC(=O)c2cn(CC(=O)N(C)C)nn2)CC(C)O1
InChIInChI=1S/C17H30N6O3/c1-12-7-22(8-13(2)26-12)17(3,4)11-18-16(25)14-9-23(20-19-14)10-15(24)21(5)6/h9,12-13H,7-8,10-11H2,1-6H3,(H,18,25)
InChIKeyAXOXMQNKSVQVIS-UHFFFAOYSA-N
XLogP-0.02
TPSA92.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 5-0.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]pyridine-4-carboxamide
CID 47019977
N-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-2,5-dimethylfuran-3-carboxamide
CID 29299383
1-[[1-[2-(dimethylamino)-2-oxoethyl]triazole-4-carbonyl]amino]cycloheptane-1-carboxylic acid
CID 120538563
methyl (E)-4-[[1-[2-(dimethylamino)-2-oxoethyl]triazole-4-carbonyl]amino]but-2-enoate
CID 146105981
N-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]furan-3-carboxamide
CID 29302140
N-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]furan-3-carboxamide
CID 29302135
N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-1H-indazole-3-carboxamide
CID 29302728
2-(2-aminoethyl)-N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-1,3-thiazole-4-carboxamide
CID 120640870
N-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-5-methylfuran-2-carboxamide
CID 29294243
N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]furan-2-carboxamide
CID 29297646
N-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-6-methylpyridine-3-carboxamide
CID 29303331
1-[2-(dimethylamino)-2-oxoethyl]-N-methyl-N-naphthalen-1-yltriazole-4-carboxamide
CID 167960568

Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)-2-oxoethyl]-N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]triazole-4-carboxamide?
The IUPAC name of 1-[2-(dimethylamino)-2-oxoethyl]-N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]triazole-4-carboxamide (CID 136578962) is 1-[2-(dimethylamino)-2-oxoethyl]-N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]triazole-4-carboxamide.
What is the SMILES notation for 1-[2-(dimethylamino)-2-oxoethyl]-N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]triazole-4-carboxamide?
The canonical SMILES for 1-[2-(dimethylamino)-2-oxoethyl]-N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]triazole-4-carboxamide is CC1CN(C(C)(C)CNC(=O)c2cn(CC(=O)N(C)C)nn2)CC(C)O1.
What is the InChIKey of 1-[2-(dimethylamino)-2-oxoethyl]-N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]triazole-4-carboxamide?
The InChIKey is AXOXMQNKSVQVIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N6O3/c1-12-7-22(8-13(2)26-12)17(3,4)11-18-16(25)14-9-23(20-19-14)10-15(24)21(5)6/h9,12-13H,7-8,10-11H2,1-6H3,(H,18,25).
What are the key properties of 1-[2-(dimethylamino)-2-oxoethyl]-N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]triazole-4-carboxamide?
1-[2-(dimethylamino)-2-oxoethyl]-N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]triazole-4-carboxamide has a molecular weight of 366.47 g/mol, XLogP of -0.02, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)-2-oxoethyl]-N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]triazole-4-carboxamide is sourced from PubChem (CID 136578962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).