N-[[4-(2-ethyltriazole-4-carbonyl)-2-methylmorpholin-2-yl]methyl]-2-fluorobutanamide

C15H24FN5O3 — CID 138049234

IUPACN-[[4-(2-ethyltriazole-4-carbonyl)-2-methylmorpholin-2-yl]methyl]-2-fluorobutanamide
SMILESCCC(F)C(=O)NCC1(C)CN(C(=O)c2cnn(CC)n2)CCO1
InChIInChI=1S/C15H24FN5O3/c1-4-11(16)13(22)17-9-15(3)10-20(6-7-24-15)14(23)12-8-18-21(5-2)19-12/h8,11H,4-7,9-10H2,1-3H3,(H,17,22)
InChIKeyJMLXAYIWBGZVES-UHFFFAOYSA-N
MW341.39 g/mol
LogP0.39
Rot. Bonds6

About N-[[4-(2-ethyltriazole-4-carbonyl)-2-methylmorpholin-2-yl]methyl]-2-fluorobutanamide

N-[[4-(2-ethyltriazole-4-carbonyl)-2-methylmorpholin-2-yl]methyl]-2-fluorobutanamide (PubChem CID 138049234) has the molecular formula C15H24FN5O3 and a molecular weight of 341.39 g/mol. Its IUPAC name is N-[[4-(2-ethyltriazole-4-carbonyl)-2-methylmorpholin-2-yl]methyl]-2-fluorobutanamide.

Molecular Properties

Compound NameN-[[4-(2-ethyltriazole-4-carbonyl)-2-methylmorpholin-2-yl]methyl]-2-fluorobutanamide
PubChem CID138049234
Molecular FormulaC15H24FN5O3
Molecular Weight341.39 g/mol
Exact Mass341.19
IUPAC NameN-[[4-(2-ethyltriazole-4-carbonyl)-2-methylmorpholin-2-yl]methyl]-2-fluorobutanamide
SMILESCCC(F)C(=O)NCC1(C)CN(C(=O)c2cnn(CC)n2)CCO1
InChIInChI=1S/C15H24FN5O3/c1-4-11(16)13(22)17-9-15(3)10-20(6-7-24-15)14(23)12-8-18-21(5-2)19-12/h8,11H,4-7,9-10H2,1-3H3,(H,17,22)
InChIKeyJMLXAYIWBGZVES-UHFFFAOYSA-N
XLogP0.39
TPSA89.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.39
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[[4-(2-ethyltriazole-4-carbonyl)-2-methylmorpholin-2-yl]methyl]-2-fluorobutanamide 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-ethyl-N-(2-morpholin-4-ylethyl)-1H-1,2,3-triazole-5-carboxamide
CID 74241678
2-ethyl-N-(2-methyl-2-morpholin-4-ylpropyl)triazole-4-carboxamide
CID 137973131
N-[[(2R)-6,6-dimethyloxan-2-yl]methyl]-2-ethyltriazole-4-carboxamide
CID 164638739
[(2R)-2-tert-butylmorpholin-4-yl]-(2H-triazol-4-yl)methanone
CID 164641192
2H-triazol-4-yl-[(3S)-2,2,3-trimethylmorpholin-4-yl]methanone
CID 164643088
2-(2H-triazole-4-carbonylamino)ethyl piperidine-1-carboxylate
CID 90219417
N-(2-morpholin-4-ylethyl)-2H-triazole-4-carboxamide
CID 110475445
N-(3-morpholin-4-ylpropyl)-2H-triazole-4-carboxamide
CID 110475464
(8-propan-2-yl-5-oxa-2,8-diazaspiro[3.5]nonan-2-yl)-(2H-triazol-4-yl)methanone
CID 171415749
N-(2-methyl-2-morpholin-4-ylpropyl)-1,2,5-thiadiazole-3-carboxamide
CID 47262245
(2,6-dimethylmorpholin-4-yl)-(2H-triazol-4-yl)methanone
CID 47334744
N-(4-methyl-2-morpholin-4-ylpentyl)-2H-triazole-4-carboxamide
CID 47338319

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-ethyltriazole-4-carbonyl)-2-methylmorpholin-2-yl]methyl]-2-fluorobutanamide?
The IUPAC name of N-[[4-(2-ethyltriazole-4-carbonyl)-2-methylmorpholin-2-yl]methyl]-2-fluorobutanamide (CID 138049234) is N-[[4-(2-ethyltriazole-4-carbonyl)-2-methylmorpholin-2-yl]methyl]-2-fluorobutanamide.
What is the SMILES notation for N-[[4-(2-ethyltriazole-4-carbonyl)-2-methylmorpholin-2-yl]methyl]-2-fluorobutanamide?
The canonical SMILES for N-[[4-(2-ethyltriazole-4-carbonyl)-2-methylmorpholin-2-yl]methyl]-2-fluorobutanamide is CCC(F)C(=O)NCC1(C)CN(C(=O)c2cnn(CC)n2)CCO1.
What is the InChIKey of N-[[4-(2-ethyltriazole-4-carbonyl)-2-methylmorpholin-2-yl]methyl]-2-fluorobutanamide?
The InChIKey is JMLXAYIWBGZVES-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FN5O3/c1-4-11(16)13(22)17-9-15(3)10-20(6-7-24-15)14(23)12-8-18-21(5-2)19-12/h8,11H,4-7,9-10H2,1-3H3,(H,17,22).
What are the key properties of N-[[4-(2-ethyltriazole-4-carbonyl)-2-methylmorpholin-2-yl]methyl]-2-fluorobutanamide?
N-[[4-(2-ethyltriazole-4-carbonyl)-2-methylmorpholin-2-yl]methyl]-2-fluorobutanamide has a molecular weight of 341.39 g/mol, XLogP of 0.39, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-ethyltriazole-4-carbonyl)-2-methylmorpholin-2-yl]methyl]-2-fluorobutanamide is sourced from PubChem (CID 138049234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).