2-cyclohexyl-N-[2-[4-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]triazol-1-yl]ethyl]acetamide

C19H31N5O3 — CID 31193202

IUPAC2-cyclohexyl-N-[2-[4-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]triazol-1-yl]ethyl]acetamide
SMILESC[C@@H]1CN(C(=O)c2cn(CCNC(=O)CC3CCCCC3)nn2)C[C@H](C)O1
InChIInChI=1S/C19H31N5O3/c1-14-11-23(12-15(2)27-14)19(26)17-13-24(22-21-17)9-8-20-18(25)10-16-6-4-3-5-7-16/h13-16H,3-12H2,1-2H3,(H,20,25)/t14-,15+
InChIKeySIJHMTPRKIULBG-GASCZTMLSA-N
MW377.49 g/mol
LogP1.61
Rot. Bonds6

About 2-cyclohexyl-N-[2-[4-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]triazol-1-yl]ethyl]acetamide

2-cyclohexyl-N-[2-[4-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]triazol-1-yl]ethyl]acetamide (PubChem CID 31193202) has the molecular formula C19H31N5O3 and a molecular weight of 377.49 g/mol. Its IUPAC name is 2-cyclohexyl-N-[2-[4-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]triazol-1-yl]ethyl]acetamide.

Molecular Properties

Compound Name2-cyclohexyl-N-[2-[4-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]triazol-1-yl]ethyl]acetamide
PubChem CID31193202
Molecular FormulaC19H31N5O3
Molecular Weight377.49 g/mol
Exact Mass377.24
IUPAC Name2-cyclohexyl-N-[2-[4-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]triazol-1-yl]ethyl]acetamide
SMILESC[C@@H]1CN(C(=O)c2cn(CCNC(=O)CC3CCCCC3)nn2)C[C@H](C)O1
InChIInChI=1S/C19H31N5O3/c1-14-11-23(12-15(2)27-14)19(26)17-13-24(22-21-17)9-8-20-18(25)10-16-6-4-3-5-7-16/h13-16H,3-12H2,1-2H3,(H,20,25)/t14-,15+
InChIKeySIJHMTPRKIULBG-GASCZTMLSA-N
XLogP1.61
TPSA89.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-N-[2-[4-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]triazol-1-yl]ethyl]acetamide?
The IUPAC name of 2-cyclohexyl-N-[2-[4-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]triazol-1-yl]ethyl]acetamide (CID 31193202) is 2-cyclohexyl-N-[2-[4-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]triazol-1-yl]ethyl]acetamide.
What is the SMILES notation for 2-cyclohexyl-N-[2-[4-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]triazol-1-yl]ethyl]acetamide?
The canonical SMILES for 2-cyclohexyl-N-[2-[4-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]triazol-1-yl]ethyl]acetamide is C[C@@H]1CN(C(=O)c2cn(CCNC(=O)CC3CCCCC3)nn2)C[C@H](C)O1.
What is the InChIKey of 2-cyclohexyl-N-[2-[4-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]triazol-1-yl]ethyl]acetamide?
The InChIKey is SIJHMTPRKIULBG-GASCZTMLSA-N. The full InChI is InChI=1S/C19H31N5O3/c1-14-11-23(12-15(2)27-14)19(26)17-13-24(22-21-17)9-8-20-18(25)10-16-6-4-3-5-7-16/h13-16H,3-12H2,1-2H3,(H,20,25)/t14-,15+.
What are the key properties of 2-cyclohexyl-N-[2-[4-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]triazol-1-yl]ethyl]acetamide?
2-cyclohexyl-N-[2-[4-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]triazol-1-yl]ethyl]acetamide has a molecular weight of 377.49 g/mol, XLogP of 1.61, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-N-[2-[4-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]triazol-1-yl]ethyl]acetamide is sourced from PubChem (CID 31193202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).