N-(cyclobutylmethyl)-1-(2-morpholin-4-ylethyl)-N-[[(2R)-oxolan-2-yl]methyl]triazole-4-carboxamide

C19H31N5O3 — CID 25293011

IUPACN-(cyclobutylmethyl)-1-(2-morpholin-4-ylethyl)-N-[[(2R)-oxolan-2-yl]methyl]triazole-4-carboxamide
SMILESO=C(c1cn(CCN2CCOCC2)nn1)N(CC1CCC1)C[C@H]1CCCO1
InChIInChI=1S/C19H31N5O3/c25-19(23(13-16-3-1-4-16)14-17-5-2-10-27-17)18-15-24(21-20-18)7-6-22-8-11-26-12-9-22/h15-17H,1-14H2/t17-/m1/s1
InChIKeyRGSJSQBFOORDIH-QGZVFWFLSA-N
MW377.49 g/mol
LogP1.03
Rot. Bonds8

About N-(cyclobutylmethyl)-1-(2-morpholin-4-ylethyl)-N-[[(2R)-oxolan-2-yl]methyl]triazole-4-carboxamide

N-(cyclobutylmethyl)-1-(2-morpholin-4-ylethyl)-N-[[(2R)-oxolan-2-yl]methyl]triazole-4-carboxamide (PubChem CID 25293011) has the molecular formula C19H31N5O3 and a molecular weight of 377.49 g/mol. Its IUPAC name is N-(cyclobutylmethyl)-1-(2-morpholin-4-ylethyl)-N-[[(2R)-oxolan-2-yl]methyl]triazole-4-carboxamide.

Molecular Properties

Compound NameN-(cyclobutylmethyl)-1-(2-morpholin-4-ylethyl)-N-[[(2R)-oxolan-2-yl]methyl]triazole-4-carboxamide
PubChem CID25293011
Molecular FormulaC19H31N5O3
Molecular Weight377.49 g/mol
Exact Mass377.24
IUPAC NameN-(cyclobutylmethyl)-1-(2-morpholin-4-ylethyl)-N-[[(2R)-oxolan-2-yl]methyl]triazole-4-carboxamide
SMILESO=C(c1cn(CCN2CCOCC2)nn1)N(CC1CCC1)C[C@H]1CCCO1
InChIInChI=1S/C19H31N5O3/c25-19(23(13-16-3-1-4-16)14-17-5-2-10-27-17)18-15-24(21-20-18)7-6-22-8-11-26-12-9-22/h15-17H,1-14H2/t17-/m1/s1
InChIKeyRGSJSQBFOORDIH-QGZVFWFLSA-N
XLogP1.03
TPSA72.72 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze N-(cyclobutylmethyl)-1-(2-morpholin-4-ylethyl)-N-[[(2R)-oxolan-2-yl]methyl]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

Frequently Asked Questions

What is the IUPAC name of N-(cyclobutylmethyl)-1-(2-morpholin-4-ylethyl)-N-[[(2R)-oxolan-2-yl]methyl]triazole-4-carboxamide?
The IUPAC name of N-(cyclobutylmethyl)-1-(2-morpholin-4-ylethyl)-N-[[(2R)-oxolan-2-yl]methyl]triazole-4-carboxamide (CID 25293011) is N-(cyclobutylmethyl)-1-(2-morpholin-4-ylethyl)-N-[[(2R)-oxolan-2-yl]methyl]triazole-4-carboxamide.
What is the SMILES notation for N-(cyclobutylmethyl)-1-(2-morpholin-4-ylethyl)-N-[[(2R)-oxolan-2-yl]methyl]triazole-4-carboxamide?
The canonical SMILES for N-(cyclobutylmethyl)-1-(2-morpholin-4-ylethyl)-N-[[(2R)-oxolan-2-yl]methyl]triazole-4-carboxamide is O=C(c1cn(CCN2CCOCC2)nn1)N(CC1CCC1)C[C@H]1CCCO1.
What is the InChIKey of N-(cyclobutylmethyl)-1-(2-morpholin-4-ylethyl)-N-[[(2R)-oxolan-2-yl]methyl]triazole-4-carboxamide?
The InChIKey is RGSJSQBFOORDIH-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H31N5O3/c25-19(23(13-16-3-1-4-16)14-17-5-2-10-27-17)18-15-24(21-20-18)7-6-22-8-11-26-12-9-22/h15-17H,1-14H2/t17-/m1/s1.
What are the key properties of N-(cyclobutylmethyl)-1-(2-morpholin-4-ylethyl)-N-[[(2R)-oxolan-2-yl]methyl]triazole-4-carboxamide?
N-(cyclobutylmethyl)-1-(2-morpholin-4-ylethyl)-N-[[(2R)-oxolan-2-yl]methyl]triazole-4-carboxamide has a molecular weight of 377.49 g/mol, XLogP of 1.03, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclobutylmethyl)-1-(2-morpholin-4-ylethyl)-N-[[(2R)-oxolan-2-yl]methyl]triazole-4-carboxamide is sourced from PubChem (CID 25293011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).