1-[2-(dimethylamino)-2-oxoethyl]-N-methyl-N-naphthalen-1-yltriazole-4-carboxamide

C18H19N5O2 — CID 167960568

IUPAC1-[2-(dimethylamino)-2-oxoethyl]-N-methyl-N-naphthalen-1-yltriazole-4-carboxamide
SMILESCN(C)C(=O)Cn1cc(C(=O)N(C)c2cccc3ccccc23)nn1
InChIInChI=1S/C18H19N5O2/c1-21(2)17(24)12-23-11-15(19-20-23)18(25)22(3)16-10-6-8-13-7-4-5-9-14(13)16/h4-11H,12H2,1-3H3
InChIKeyRBECSFZLBXGGEF-UHFFFAOYSA-N
MW337.38 g/mol
LogP1.80
Rot. Bonds4

About 1-[2-(dimethylamino)-2-oxoethyl]-N-methyl-N-naphthalen-1-yltriazole-4-carboxamide

1-[2-(dimethylamino)-2-oxoethyl]-N-methyl-N-naphthalen-1-yltriazole-4-carboxamide (PubChem CID 167960568) has the molecular formula C18H19N5O2 and a molecular weight of 337.38 g/mol. Its IUPAC name is 1-[2-(dimethylamino)-2-oxoethyl]-N-methyl-N-naphthalen-1-yltriazole-4-carboxamide.

Molecular Properties

Compound Name1-[2-(dimethylamino)-2-oxoethyl]-N-methyl-N-naphthalen-1-yltriazole-4-carboxamide
PubChem CID167960568
Molecular FormulaC18H19N5O2
Molecular Weight337.38 g/mol
Exact Mass337.15
IUPAC Name1-[2-(dimethylamino)-2-oxoethyl]-N-methyl-N-naphthalen-1-yltriazole-4-carboxamide
SMILESCN(C)C(=O)Cn1cc(C(=O)N(C)c2cccc3ccccc23)nn1
InChIInChI=1S/C18H19N5O2/c1-21(2)17(24)12-23-11-15(19-20-23)18(25)22(3)16-10-6-8-13-7-4-5-9-14(13)16/h4-11H,12H2,1-3H3
InChIKeyRBECSFZLBXGGEF-UHFFFAOYSA-N
XLogP1.80
TPSA71.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-aminoethyl)-1-[2-(dimethylamino)-2-oxoethyl]-N-(2-phenylethyl)triazole-4-carboxamide
CID 120885038
N-methyl-N-naphthalen-1-ylbenzamide
CID 47382605
2-[4-[methyl(pyridin-2-yl)carbamoyl]triazol-1-yl]acetic acid
CID 66291027
2-[4-[methyl-(3-methylphenyl)carbamoyl]triazol-1-yl]acetic acid
CID 66288359
2-hydroxy-N-methyl-N-naphthalen-1-ylacetamide
CID 115139787
1-[2-(dimethylamino)-2-oxoethyl]-N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]triazole-4-carboxamide
CID 136578962
N-(2,3-dihydro-1H-inden-1-yl)-1-[2-(dimethylamino)-2-oxoethyl]triazole-4-carboxamide
CID 47071805
N-[(1R)-2,3-dihydro-1H-inden-1-yl]-1-[2-(dimethylamino)-2-oxoethyl]triazole-4-carboxamide
CID 94660049
N,N-dimethyl-2-[4-(2-phenylazepane-1-carbonyl)triazol-1-yl]acetamide
CID 136578967
1-[[1-[2-(dimethylamino)-2-oxoethyl]triazole-4-carbonyl]amino]cycloheptane-1-carboxylic acid
CID 120538563
2-[1-[2-(dimethylamino)-2-oxoethyl]triazole-4-carbonyl]-3,4-dihydro-1H-isoquinoline-1-carboxylic acid
CID 119213030
1,3-dimethyl-1-naphthalen-1-yl-3-phenylurea
CID 11403549

Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)-2-oxoethyl]-N-methyl-N-naphthalen-1-yltriazole-4-carboxamide?
The IUPAC name of 1-[2-(dimethylamino)-2-oxoethyl]-N-methyl-N-naphthalen-1-yltriazole-4-carboxamide (CID 167960568) is 1-[2-(dimethylamino)-2-oxoethyl]-N-methyl-N-naphthalen-1-yltriazole-4-carboxamide.
What is the SMILES notation for 1-[2-(dimethylamino)-2-oxoethyl]-N-methyl-N-naphthalen-1-yltriazole-4-carboxamide?
The canonical SMILES for 1-[2-(dimethylamino)-2-oxoethyl]-N-methyl-N-naphthalen-1-yltriazole-4-carboxamide is CN(C)C(=O)Cn1cc(C(=O)N(C)c2cccc3ccccc23)nn1.
What is the InChIKey of 1-[2-(dimethylamino)-2-oxoethyl]-N-methyl-N-naphthalen-1-yltriazole-4-carboxamide?
The InChIKey is RBECSFZLBXGGEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O2/c1-21(2)17(24)12-23-11-15(19-20-23)18(25)22(3)16-10-6-8-13-7-4-5-9-14(13)16/h4-11H,12H2,1-3H3.
What are the key properties of 1-[2-(dimethylamino)-2-oxoethyl]-N-methyl-N-naphthalen-1-yltriazole-4-carboxamide?
1-[2-(dimethylamino)-2-oxoethyl]-N-methyl-N-naphthalen-1-yltriazole-4-carboxamide has a molecular weight of 337.38 g/mol, XLogP of 1.80, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)-2-oxoethyl]-N-methyl-N-naphthalen-1-yltriazole-4-carboxamide is sourced from PubChem (CID 167960568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).