N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-2-[(3R)-4-(pyrrolidine-1-carbonyl)morpholin-3-yl]acetamide

C17H28N6O3 — CID 95874500

IUPACN-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-2-[(3R)-4-(pyrrolidine-1-carbonyl)morpholin-3-yl]acetamide
SMILESCCn1cnnc1CCNC(=O)C[C@@H]1COCCN1C(=O)N1CCCC1
InChIInChI=1S/C17H28N6O3/c1-2-21-13-19-20-15(21)5-6-18-16(24)11-14-12-26-10-9-23(14)17(25)22-7-3-4-8-22/h13-14H,2-12H2,1H3,(H,18,24)/t14-/m1/s1
InChIKeyMNFHGSDEDBMDKA-CQSZACIVSA-N
MW364.45 g/mol
LogP0.26
Rot. Bonds6

About N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-2-[(3R)-4-(pyrrolidine-1-carbonyl)morpholin-3-yl]acetamide

N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-2-[(3R)-4-(pyrrolidine-1-carbonyl)morpholin-3-yl]acetamide (PubChem CID 95874500) has the molecular formula C17H28N6O3 and a molecular weight of 364.45 g/mol. Its IUPAC name is N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-2-[(3R)-4-(pyrrolidine-1-carbonyl)morpholin-3-yl]acetamide.

Molecular Properties

Compound NameN-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-2-[(3R)-4-(pyrrolidine-1-carbonyl)morpholin-3-yl]acetamide
PubChem CID95874500
Molecular FormulaC17H28N6O3
Molecular Weight364.45 g/mol
Exact Mass364.22
IUPAC NameN-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-2-[(3R)-4-(pyrrolidine-1-carbonyl)morpholin-3-yl]acetamide
SMILESCCn1cnnc1CCNC(=O)C[C@@H]1COCCN1C(=O)N1CCCC1
InChIInChI=1S/C17H28N6O3/c1-2-21-13-19-20-15(21)5-6-18-16(24)11-14-12-26-10-9-23(14)17(25)22-7-3-4-8-22/h13-14H,2-12H2,1H3,(H,18,24)/t14-/m1/s1
InChIKeyMNFHGSDEDBMDKA-CQSZACIVSA-N
XLogP0.26
TPSA92.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-2-[(3R)-4-(pyrrolidine-1-carbonyl)morpholin-3-yl]acetamide?
The IUPAC name of N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-2-[(3R)-4-(pyrrolidine-1-carbonyl)morpholin-3-yl]acetamide (CID 95874500) is N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-2-[(3R)-4-(pyrrolidine-1-carbonyl)morpholin-3-yl]acetamide.
What is the SMILES notation for N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-2-[(3R)-4-(pyrrolidine-1-carbonyl)morpholin-3-yl]acetamide?
The canonical SMILES for N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-2-[(3R)-4-(pyrrolidine-1-carbonyl)morpholin-3-yl]acetamide is CCn1cnnc1CCNC(=O)C[C@@H]1COCCN1C(=O)N1CCCC1.
What is the InChIKey of N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-2-[(3R)-4-(pyrrolidine-1-carbonyl)morpholin-3-yl]acetamide?
The InChIKey is MNFHGSDEDBMDKA-CQSZACIVSA-N. The full InChI is InChI=1S/C17H28N6O3/c1-2-21-13-19-20-15(21)5-6-18-16(24)11-14-12-26-10-9-23(14)17(25)22-7-3-4-8-22/h13-14H,2-12H2,1H3,(H,18,24)/t14-/m1/s1.
What are the key properties of N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-2-[(3R)-4-(pyrrolidine-1-carbonyl)morpholin-3-yl]acetamide?
N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-2-[(3R)-4-(pyrrolidine-1-carbonyl)morpholin-3-yl]acetamide has a molecular weight of 364.45 g/mol, XLogP of 0.26, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-2-[(3R)-4-(pyrrolidine-1-carbonyl)morpholin-3-yl]acetamide is sourced from PubChem (CID 95874500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).