N-(2-aminoethyl)-1-[2-(dimethylamino)-2-oxoethyl]-N-(2-phenylethyl)triazole-4-carboxamide

C17H24N6O2 — CID 120885038

IUPACN-(2-aminoethyl)-1-[2-(dimethylamino)-2-oxoethyl]-N-(2-phenylethyl)triazole-4-carboxamide
SMILESCN(C)C(=O)Cn1cc(C(=O)N(CCN)CCc2ccccc2)nn1
InChIInChI=1S/C17H24N6O2/c1-21(2)16(24)13-23-12-15(19-20-23)17(25)22(11-9-18)10-8-14-6-4-3-5-7-14/h3-7,12H,8-11,13,18H2,1-2H3
InChIKeyYSTMINPOISJOGJ-UHFFFAOYSA-N
MW344.42 g/mol
LogP0.01
Rot. Bonds8

About N-(2-aminoethyl)-1-[2-(dimethylamino)-2-oxoethyl]-N-(2-phenylethyl)triazole-4-carboxamide

N-(2-aminoethyl)-1-[2-(dimethylamino)-2-oxoethyl]-N-(2-phenylethyl)triazole-4-carboxamide (PubChem CID 120885038) has the molecular formula C17H24N6O2 and a molecular weight of 344.42 g/mol. Its IUPAC name is N-(2-aminoethyl)-1-[2-(dimethylamino)-2-oxoethyl]-N-(2-phenylethyl)triazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-1-[2-(dimethylamino)-2-oxoethyl]-N-(2-phenylethyl)triazole-4-carboxamide
PubChem CID120885038
Molecular FormulaC17H24N6O2
Molecular Weight344.42 g/mol
Exact Mass344.20
IUPAC NameN-(2-aminoethyl)-1-[2-(dimethylamino)-2-oxoethyl]-N-(2-phenylethyl)triazole-4-carboxamide
SMILESCN(C)C(=O)Cn1cc(C(=O)N(CCN)CCc2ccccc2)nn1
InChIInChI=1S/C17H24N6O2/c1-21(2)16(24)13-23-12-15(19-20-23)17(25)22(11-9-18)10-8-14-6-4-3-5-7-14/h3-7,12H,8-11,13,18H2,1-2H3
InChIKeyYSTMINPOISJOGJ-UHFFFAOYSA-N
XLogP0.01
TPSA97.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(2,6-difluorophenyl)methyl]-N-methyl-N-(2-phenylethyl)triazole-4-carboxamide
CID 56885967
1-[2-(dimethylamino)-2-oxoethyl]-N-methyl-N-naphthalen-1-yltriazole-4-carboxamide
CID 167960568
N-(2-aminoethyl)-N-(2-phenylethyl)propanamide
CID 120884412
N-(2-aminoethyl)-2-(4-nitropyrazol-1-yl)-N-(2-phenylethyl)acetamide
CID 120884306
3-N-(2-aminoethyl)-1-N,1-N-dimethyl-3-N-(2-phenylethyl)benzene-1,3-dicarboxamide;hydrochloride
CID 120885749
N-(2-aminoethyl)-5-cyclopropyl-1-methyl-N-(2-phenylethyl)pyrazole-3-carboxamide;hydrochloride
CID 120886743
2-N-(2-aminoethyl)-1-methyl-2-N-(2-phenylethyl)pyrrole-2,4-dicarboxamide
CID 120886586
N-(2-aminoethyl)-N-(2-phenylethyl)-2-propan-2-yl-1,3-thiazole-4-carboxamide
CID 120884448
4-N-(2-aminoethyl)-1-N-ethyl-4-N-(2-phenylethyl)-1-N-propylbenzene-1,4-dicarboxamide
CID 120884506
2-N-(2-aminoethyl)-2-N-(2-phenylethyl)thiophene-2,5-dicarboxamide
CID 120886240
4-acetyl-N-(2-aminoethyl)-N-(2-phenylethyl)benzamide;hydrochloride
CID 120885633
N-(2-aminoethyl)-N-(2-phenylethyl)-2-propylsulfanylacetamide
CID 120886262

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-1-[2-(dimethylamino)-2-oxoethyl]-N-(2-phenylethyl)triazole-4-carboxamide?
The IUPAC name of N-(2-aminoethyl)-1-[2-(dimethylamino)-2-oxoethyl]-N-(2-phenylethyl)triazole-4-carboxamide (CID 120885038) is N-(2-aminoethyl)-1-[2-(dimethylamino)-2-oxoethyl]-N-(2-phenylethyl)triazole-4-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-1-[2-(dimethylamino)-2-oxoethyl]-N-(2-phenylethyl)triazole-4-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-1-[2-(dimethylamino)-2-oxoethyl]-N-(2-phenylethyl)triazole-4-carboxamide is CN(C)C(=O)Cn1cc(C(=O)N(CCN)CCc2ccccc2)nn1.
What is the InChIKey of N-(2-aminoethyl)-1-[2-(dimethylamino)-2-oxoethyl]-N-(2-phenylethyl)triazole-4-carboxamide?
The InChIKey is YSTMINPOISJOGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O2/c1-21(2)16(24)13-23-12-15(19-20-23)17(25)22(11-9-18)10-8-14-6-4-3-5-7-14/h3-7,12H,8-11,13,18H2,1-2H3.
What are the key properties of N-(2-aminoethyl)-1-[2-(dimethylamino)-2-oxoethyl]-N-(2-phenylethyl)triazole-4-carboxamide?
N-(2-aminoethyl)-1-[2-(dimethylamino)-2-oxoethyl]-N-(2-phenylethyl)triazole-4-carboxamide has a molecular weight of 344.42 g/mol, XLogP of 0.01, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-1-[2-(dimethylamino)-2-oxoethyl]-N-(2-phenylethyl)triazole-4-carboxamide is sourced from PubChem (CID 120885038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).