1-[2-(dimethylamino)-2-oxoethyl]-N-[(1R)-1-(furan-2-yl)-2-(2-methylpropoxy)ethyl]triazole-4-carboxamide

C17H25N5O4 — CID 95343414

IUPAC1-[2-(dimethylamino)-2-oxoethyl]-N-[(1R)-1-(furan-2-yl)-2-(2-methylpropoxy)ethyl]triazole-4-carboxamide
SMILESCC(C)COC[C@@H](NC(=O)c1cn(CC(=O)N(C)C)nn1)c1ccco1
InChIInChI=1S/C17H25N5O4/c1-12(2)10-25-11-14(15-6-5-7-26-15)18-17(24)13-8-22(20-19-13)9-16(23)21(3)4/h5-8,12,14H,9-11H2,1-4H3,(H,18,24)/t14-/m1/s1
InChIKeyGHTZIIPXYSJBIR-CQSZACIVSA-N
MW363.42 g/mol
LogP1.10
Rot. Bonds9

About 1-[2-(dimethylamino)-2-oxoethyl]-N-[(1R)-1-(furan-2-yl)-2-(2-methylpropoxy)ethyl]triazole-4-carboxamide

1-[2-(dimethylamino)-2-oxoethyl]-N-[(1R)-1-(furan-2-yl)-2-(2-methylpropoxy)ethyl]triazole-4-carboxamide (PubChem CID 95343414) has the molecular formula C17H25N5O4 and a molecular weight of 363.42 g/mol. Its IUPAC name is 1-[2-(dimethylamino)-2-oxoethyl]-N-[(1R)-1-(furan-2-yl)-2-(2-methylpropoxy)ethyl]triazole-4-carboxamide.

Molecular Properties

Compound Name1-[2-(dimethylamino)-2-oxoethyl]-N-[(1R)-1-(furan-2-yl)-2-(2-methylpropoxy)ethyl]triazole-4-carboxamide
PubChem CID95343414
Molecular FormulaC17H25N5O4
Molecular Weight363.42 g/mol
Exact Mass363.19
IUPAC Name1-[2-(dimethylamino)-2-oxoethyl]-N-[(1R)-1-(furan-2-yl)-2-(2-methylpropoxy)ethyl]triazole-4-carboxamide
SMILESCC(C)COC[C@@H](NC(=O)c1cn(CC(=O)N(C)C)nn1)c1ccco1
InChIInChI=1S/C17H25N5O4/c1-12(2)10-25-11-14(15-6-5-7-26-15)18-17(24)13-8-22(20-19-13)9-16(23)21(3)4/h5-8,12,14H,9-11H2,1-4H3,(H,18,24)/t14-/m1/s1
InChIKeyGHTZIIPXYSJBIR-CQSZACIVSA-N
XLogP1.10
TPSA102.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-[2-(dimethylamino)-2-oxoethyl]-N-[(1R)-3-methyl-1-thiophen-2-ylbutyl]triazole-4-carboxamide
CID 94813373
N-[(1S)-1-(furan-2-yl)-2-(2-methylpropoxy)ethyl]pyridine-2-carboxamide
CID 94818587
2-[4-[1-(furan-2-yl)ethylcarbamoyl]triazol-1-yl]acetic acid
CID 66289994
N-[1-(furan-2-yl)-2-(2-methylpropoxy)ethyl]pyrazine-2-carboxamide
CID 51105520
N-[1-(furan-2-yl)-2-(2-methylpropoxy)ethyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-2-carboxamide
CID 138002210
N-[(1R)-1-(furan-2-yl)-2-(2-methylpropoxy)ethyl]-2-methylfuran-3-carboxamide
CID 95293966
3-[[1-[2-(dimethylamino)-2-oxoethyl]triazole-4-carbonyl]amino]-3-(4-fluorophenyl)propanoic acid
CID 119169751
4-acetyl-N-[(1R)-1-(furan-2-yl)-2-(2-methylpropoxy)ethyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide
CID 95325019
4,5-dibromo-N-[(1S)-1-(furan-2-yl)-2-(2-methylpropoxy)ethyl]thiophene-2-carboxamide
CID 52513156
N-[(2S)-1-[[(1R)-1-(furan-2-yl)-2-(2-methylpropoxy)ethyl]amino]-1-oxopropan-2-yl]furan-3-carboxamide
CID 95300670
N-[1-(furan-2-yl)-2-(2-methylpropoxy)ethyl]-3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
CID 166206458
1-[2-(diethylamino)-2-oxoethyl]-N-[(3R)-3-(furan-2-yl)-3-phenylpropyl]triazole-4-carboxamide
CID 25453971

Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)-2-oxoethyl]-N-[(1R)-1-(furan-2-yl)-2-(2-methylpropoxy)ethyl]triazole-4-carboxamide?
The IUPAC name of 1-[2-(dimethylamino)-2-oxoethyl]-N-[(1R)-1-(furan-2-yl)-2-(2-methylpropoxy)ethyl]triazole-4-carboxamide (CID 95343414) is 1-[2-(dimethylamino)-2-oxoethyl]-N-[(1R)-1-(furan-2-yl)-2-(2-methylpropoxy)ethyl]triazole-4-carboxamide.
What is the SMILES notation for 1-[2-(dimethylamino)-2-oxoethyl]-N-[(1R)-1-(furan-2-yl)-2-(2-methylpropoxy)ethyl]triazole-4-carboxamide?
The canonical SMILES for 1-[2-(dimethylamino)-2-oxoethyl]-N-[(1R)-1-(furan-2-yl)-2-(2-methylpropoxy)ethyl]triazole-4-carboxamide is CC(C)COC[C@@H](NC(=O)c1cn(CC(=O)N(C)C)nn1)c1ccco1.
What is the InChIKey of 1-[2-(dimethylamino)-2-oxoethyl]-N-[(1R)-1-(furan-2-yl)-2-(2-methylpropoxy)ethyl]triazole-4-carboxamide?
The InChIKey is GHTZIIPXYSJBIR-CQSZACIVSA-N. The full InChI is InChI=1S/C17H25N5O4/c1-12(2)10-25-11-14(15-6-5-7-26-15)18-17(24)13-8-22(20-19-13)9-16(23)21(3)4/h5-8,12,14H,9-11H2,1-4H3,(H,18,24)/t14-/m1/s1.
What are the key properties of 1-[2-(dimethylamino)-2-oxoethyl]-N-[(1R)-1-(furan-2-yl)-2-(2-methylpropoxy)ethyl]triazole-4-carboxamide?
1-[2-(dimethylamino)-2-oxoethyl]-N-[(1R)-1-(furan-2-yl)-2-(2-methylpropoxy)ethyl]triazole-4-carboxamide has a molecular weight of 363.42 g/mol, XLogP of 1.10, 9 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-[(1R)-1-(furan-2-yl)-2-(2-methylpropoxy)ethyl]triazole-4-carboxamide is sourced from PubChem (CID 95343414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).