1-benzyl-N-[(1R,3R)-3-ethoxyspiro[3.3]heptan-1-yl]triazole-4-carboxamide

C19H24N4O2 — CID 97100576

IUPAC1-benzyl-N-[(1R,3R)-3-ethoxyspiro[3.3]heptan-1-yl]triazole-4-carboxamide
SMILESCCO[C@@H]1C[C@@H](NC(=O)c2cn(Cc3ccccc3)nn2)C12CCC2
InChIInChI=1S/C19H24N4O2/c1-2-25-17-11-16(19(17)9-6-10-19)20-18(24)15-13-23(22-21-15)12-14-7-4-3-5-8-14/h3-5,7-8,13,16-17H,2,6,9-12H2,1H3,(H,20,24)/t16-,17-/m1/s1
InChIKeyLHDTWOKIOGJVFF-IAGOWNOFSA-N
MW340.43 g/mol
LogP2.40
Rot. Bonds6

About 1-benzyl-N-[(1R,3R)-3-ethoxyspiro[3.3]heptan-1-yl]triazole-4-carboxamide

1-benzyl-N-[(1R,3R)-3-ethoxyspiro[3.3]heptan-1-yl]triazole-4-carboxamide (PubChem CID 97100576) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is 1-benzyl-N-[(1R,3R)-3-ethoxyspiro[3.3]heptan-1-yl]triazole-4-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-[(1R,3R)-3-ethoxyspiro[3.3]heptan-1-yl]triazole-4-carboxamide
PubChem CID97100576
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name1-benzyl-N-[(1R,3R)-3-ethoxyspiro[3.3]heptan-1-yl]triazole-4-carboxamide
SMILESCCO[C@@H]1C[C@@H](NC(=O)c2cn(Cc3ccccc3)nn2)C12CCC2
InChIInChI=1S/C19H24N4O2/c1-2-25-17-11-16(19(17)9-6-10-19)20-18(24)15-13-23(22-21-15)12-14-7-4-3-5-8-14/h3-5,7-8,13,16-17H,2,6,9-12H2,1H3,(H,20,24)/t16-,17-/m1/s1
InChIKeyLHDTWOKIOGJVFF-IAGOWNOFSA-N
XLogP2.40
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-benzyl-N-[(1R,3R)-3-ethoxyspiro[3.3]heptan-1-yl]triazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(1R,3R)-3-ethoxyspiro[3.3]heptan-1-yl]-2-phenyl-1,3-thiazole-4-carboxamide
CID 99810928
5-[(3-ethoxyspiro[3.5]nonan-1-yl)carbamoyl]pyrazine-2-carboxylic acid
CID 120685796
N-[(1R,3R)-3-ethoxyspiro[3.3]heptan-1-yl]-2-(1,2,4-triazol-1-ylmethyl)benzamide
CID 96565781
1-benzyl-N-(2-tert-butylcyclohexyl)triazole-4-carboxamide
CID 43060445
N-[(1R,3S)-3-ethoxyspiro[3.4]octan-1-yl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 97100665
N-[(1R,3R)-3-ethoxyspiro[3.3]heptan-1-yl]-2-pyrimidin-5-ylbenzamide
CID 97100560
1-benzyltriazole-4-carbonyl chloride
CID 87720228
3-ethoxy-N-[(2-ethylphenyl)methyl]spiro[3.3]heptan-1-amine
CID 65294485
1-benzyl-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)triazole-4-carboxamide
CID 111658731
1-[(1R,3S)-3-ethoxyspiro[3.3]heptan-1-yl]-3-[[3-(hydroxymethyl)phenyl]methyl]urea
CID 95934147
N-(3-ethoxyspiro[3.5]nonan-1-yl)-2-(1-methylpyrazol-4-yl)acetamide
CID 71980181
(3-methylcyclohexyl) 1-benzyltriazole-4-carboxylate
CID 78839377

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[(1R,3R)-3-ethoxyspiro[3.3]heptan-1-yl]triazole-4-carboxamide?
The IUPAC name of 1-benzyl-N-[(1R,3R)-3-ethoxyspiro[3.3]heptan-1-yl]triazole-4-carboxamide (CID 97100576) is 1-benzyl-N-[(1R,3R)-3-ethoxyspiro[3.3]heptan-1-yl]triazole-4-carboxamide.
What is the SMILES notation for 1-benzyl-N-[(1R,3R)-3-ethoxyspiro[3.3]heptan-1-yl]triazole-4-carboxamide?
The canonical SMILES for 1-benzyl-N-[(1R,3R)-3-ethoxyspiro[3.3]heptan-1-yl]triazole-4-carboxamide is CCO[C@@H]1C[C@@H](NC(=O)c2cn(Cc3ccccc3)nn2)C12CCC2.
What is the InChIKey of 1-benzyl-N-[(1R,3R)-3-ethoxyspiro[3.3]heptan-1-yl]triazole-4-carboxamide?
The InChIKey is LHDTWOKIOGJVFF-IAGOWNOFSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-2-25-17-11-16(19(17)9-6-10-19)20-18(24)15-13-23(22-21-15)12-14-7-4-3-5-8-14/h3-5,7-8,13,16-17H,2,6,9-12H2,1H3,(H,20,24)/t16-,17-/m1/s1.
What are the key properties of 1-benzyl-N-[(1R,3R)-3-ethoxyspiro[3.3]heptan-1-yl]triazole-4-carboxamide?
1-benzyl-N-[(1R,3R)-3-ethoxyspiro[3.3]heptan-1-yl]triazole-4-carboxamide has a molecular weight of 340.43 g/mol, XLogP of 2.40, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[(1R,3R)-3-ethoxyspiro[3.3]heptan-1-yl]triazole-4-carboxamide is sourced from PubChem (CID 97100576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).