3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-[1-(4-ethyl-1,2,4-triazol-3-yl)ethyl]propanamide

C15H27N5O2 — CID 131935851

IUPAC3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-[1-(4-ethyl-1,2,4-triazol-3-yl)ethyl]propanamide
SMILESCCn1cnnc1C(C)NC(=O)CCN1C[C@@H](C)O[C@@H](C)C1
InChIInChI=1S/C15H27N5O2/c1-5-20-10-16-18-15(20)13(4)17-14(21)6-7-19-8-11(2)22-12(3)9-19/h10-13H,5-9H2,1-4H3,(H,17,21)/t11-,12+,13?
InChIKeyQNJZUODSZMMYEE-FUNVUKJBSA-N
MW309.41 g/mol
LogP0.97
Rot. Bonds6

About 3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-[1-(4-ethyl-1,2,4-triazol-3-yl)ethyl]propanamide

3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-[1-(4-ethyl-1,2,4-triazol-3-yl)ethyl]propanamide (PubChem CID 131935851) has the molecular formula C15H27N5O2 and a molecular weight of 309.41 g/mol. Its IUPAC name is 3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-[1-(4-ethyl-1,2,4-triazol-3-yl)ethyl]propanamide.

Molecular Properties

Compound Name3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-[1-(4-ethyl-1,2,4-triazol-3-yl)ethyl]propanamide
PubChem CID131935851
Molecular FormulaC15H27N5O2
Molecular Weight309.41 g/mol
Exact Mass309.22
IUPAC Name3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-[1-(4-ethyl-1,2,4-triazol-3-yl)ethyl]propanamide
SMILESCCn1cnnc1C(C)NC(=O)CCN1C[C@@H](C)O[C@@H](C)C1
InChIInChI=1S/C15H27N5O2/c1-5-20-10-16-18-15(20)13(4)17-14(21)6-7-19-8-11(2)22-12(3)9-19/h10-13H,5-9H2,1-4H3,(H,17,21)/t11-,12+,13?
InChIKeyQNJZUODSZMMYEE-FUNVUKJBSA-N
XLogP0.97
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]morpholine-4-carboxamide
CID 47253001
1-[(4-Ethyl-1,2,4-triazol-3-yl)methyl]-3-(3-methyl-2-morpholin-4-ylbutyl)urea
CID 51082705
1-[(4-Ethyl-1,2,4-triazol-3-yl)methyl]-3-(2-methyl-2-morpholin-4-ylbutyl)urea
CID 53504326
N-[(4-cyclohexyl-4H-1,2,4-triazol-3-yl)methyl]-2-morpholinecarboxamide
CID 56882213
N-cyclopentyl-2-[2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]morpholin-4-yl]acetamide
CID 72141730
N-[(4-ethyl-4H-1,2,4-triazol-3-yl)methyl]-2,5-dimethylmorpholine-4-carboxamide
CID 75397424
2-(4-ethyl-4H-1,2,4-triazol-3-yl)morpholine
CID 62692797
3-[(2S)-2-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]pyrrolidin-1-yl]-1-morpholin-4-ylpropan-1-one
CID 95773986
3-ethoxy-N-[1-(4-isopropyl-4H-1,2,4-triazol-3-yl)ethyl]propanamide
CID 118763733
N-{2-[4-(2-methoxyethyl)-4H-1,2,4-triazol-3-yl]ethyl}-2,2-dimethylpropanamide
CID 118779396
N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2-methyl-2-morpholin-4-ylpropanamide
CID 126797330
2-methyl-2-morpholin-4-yl-N-[2-(3-propan-2-yl-1,2,4-triazol-4-yl)ethyl]propanamide
CID 128171468

Frequently Asked Questions

What is the IUPAC name of 3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-[1-(4-ethyl-1,2,4-triazol-3-yl)ethyl]propanamide?
The IUPAC name of 3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-[1-(4-ethyl-1,2,4-triazol-3-yl)ethyl]propanamide (CID 131935851) is 3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-[1-(4-ethyl-1,2,4-triazol-3-yl)ethyl]propanamide.
What is the SMILES notation for 3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-[1-(4-ethyl-1,2,4-triazol-3-yl)ethyl]propanamide?
The canonical SMILES for 3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-[1-(4-ethyl-1,2,4-triazol-3-yl)ethyl]propanamide is CCn1cnnc1C(C)NC(=O)CCN1C[C@@H](C)O[C@@H](C)C1.
What is the InChIKey of 3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-[1-(4-ethyl-1,2,4-triazol-3-yl)ethyl]propanamide?
The InChIKey is QNJZUODSZMMYEE-FUNVUKJBSA-N. The full InChI is InChI=1S/C15H27N5O2/c1-5-20-10-16-18-15(20)13(4)17-14(21)6-7-19-8-11(2)22-12(3)9-19/h10-13H,5-9H2,1-4H3,(H,17,21)/t11-,12+,13?.
What are the key properties of 3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-[1-(4-ethyl-1,2,4-triazol-3-yl)ethyl]propanamide?
3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-[1-(4-ethyl-1,2,4-triazol-3-yl)ethyl]propanamide has a molecular weight of 309.41 g/mol, XLogP of 0.97, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-[1-(4-ethyl-1,2,4-triazol-3-yl)ethyl]propanamide is sourced from PubChem (CID 131935851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).