ethyl 2-[(3R)-4-[1-(2-cyclohexylethyl)triazole-4-carbonyl]morpholin-3-yl]acetate

C19H30N4O4 — CID 25369911

IUPACethyl 2-[(3R)-4-[1-(2-cyclohexylethyl)triazole-4-carbonyl]morpholin-3-yl]acetate
SMILESCCOC(=O)C[C@@H]1COCCN1C(=O)c1cn(CCC2CCCCC2)nn1
InChIInChI=1S/C19H30N4O4/c1-2-27-18(24)12-16-14-26-11-10-23(16)19(25)17-13-22(21-20-17)9-8-15-6-4-3-5-7-15/h13,15-16H,2-12,14H2,1H3/t16-/m1/s1
InChIKeyINOMNQYETLKOEK-MRXNPFEDSA-N
MW378.47 g/mol
LogP2.04
Rot. Bonds7

About ethyl 2-[(3R)-4-[1-(2-cyclohexylethyl)triazole-4-carbonyl]morpholin-3-yl]acetate

ethyl 2-[(3R)-4-[1-(2-cyclohexylethyl)triazole-4-carbonyl]morpholin-3-yl]acetate (PubChem CID 25369911) has the molecular formula C19H30N4O4 and a molecular weight of 378.47 g/mol. Its IUPAC name is ethyl 2-[(3R)-4-[1-(2-cyclohexylethyl)triazole-4-carbonyl]morpholin-3-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[(3R)-4-[1-(2-cyclohexylethyl)triazole-4-carbonyl]morpholin-3-yl]acetate
PubChem CID25369911
Molecular FormulaC19H30N4O4
Molecular Weight378.47 g/mol
Exact Mass378.23
IUPAC Nameethyl 2-[(3R)-4-[1-(2-cyclohexylethyl)triazole-4-carbonyl]morpholin-3-yl]acetate
SMILESCCOC(=O)C[C@@H]1COCCN1C(=O)c1cn(CCC2CCCCC2)nn1
InChIInChI=1S/C19H30N4O4/c1-2-27-18(24)12-16-14-26-11-10-23(16)19(25)17-13-22(21-20-17)9-8-15-6-4-3-5-7-15/h13,15-16H,2-12,14H2,1H3/t16-/m1/s1
InChIKeyINOMNQYETLKOEK-MRXNPFEDSA-N
XLogP2.04
TPSA86.55 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze ethyl 2-[(3R)-4-[1-(2-cyclohexylethyl)triazole-4-carbonyl]morpholin-3-yl]acetate with MolForge

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Related Compounds

ethyl 2-[4-(1-benzhydryltriazole-4-carbonyl)morpholin-3-yl]acetate
CID 45178950
ethyl 2-[(2S)-1-[1-[[2-(trifluoromethyl)phenyl]methyl]triazole-4-carbonyl]piperidin-2-yl]acetate
CID 42297998
[1-(2-cyclohexylethyl)triazol-4-yl]-[3-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 45176698
ethyl 2-[4-[4-(cyclopentylamino)-4-oxobutanoyl]morpholin-3-yl]acetate
CID 46994260
ethyl 2-[4-(3-methylimidazole-4-carbonyl)morpholin-3-yl]acetate;2,2,2-trifluoroacetic acid
CID 154888697
tert-butyl (2R)-2-[2-(4-ethoxycarbonyltriazol-1-yl)ethyl]piperidine-1-carboxylate
CID 95735559
tert-butyl 2-[2-(4-ethoxycarbonyltriazol-1-yl)ethyl]piperidine-1-carboxylate
CID 66523397
tert-butyl (2S)-2-[2-(4-ethoxycarbonyltriazol-1-yl)ethyl]piperidine-1-carboxylate
CID 95735558
ethyl 2-[(3S)-4-[5-(quinolin-8-yloxymethyl)-1,2-oxazole-3-carbonyl]morpholin-3-yl]acetate
CID 25380946
3-[3-[4-[3-(2,2-dimethylpropyl)morpholine-4-carbonyl]triazol-1-yl]propyl]-4H-1,2,4-oxadiazol-5-one
CID 167774548
2-[(3S)-4-[1-(3-methylphenyl)triazole-4-carbonyl]morpholin-3-yl]acetic acid
CID 129469806
1-[2-[4-(cyclohexylmethyl)piperazin-1-yl]ethyl]-N-propan-2-yltriazole-4-carboxamide
CID 45218907

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(3R)-4-[1-(2-cyclohexylethyl)triazole-4-carbonyl]morpholin-3-yl]acetate?
The IUPAC name of ethyl 2-[(3R)-4-[1-(2-cyclohexylethyl)triazole-4-carbonyl]morpholin-3-yl]acetate (CID 25369911) is ethyl 2-[(3R)-4-[1-(2-cyclohexylethyl)triazole-4-carbonyl]morpholin-3-yl]acetate.
What is the SMILES notation for ethyl 2-[(3R)-4-[1-(2-cyclohexylethyl)triazole-4-carbonyl]morpholin-3-yl]acetate?
The canonical SMILES for ethyl 2-[(3R)-4-[1-(2-cyclohexylethyl)triazole-4-carbonyl]morpholin-3-yl]acetate is CCOC(=O)C[C@@H]1COCCN1C(=O)c1cn(CCC2CCCCC2)nn1.
What is the InChIKey of ethyl 2-[(3R)-4-[1-(2-cyclohexylethyl)triazole-4-carbonyl]morpholin-3-yl]acetate?
The InChIKey is INOMNQYETLKOEK-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H30N4O4/c1-2-27-18(24)12-16-14-26-11-10-23(16)19(25)17-13-22(21-20-17)9-8-15-6-4-3-5-7-15/h13,15-16H,2-12,14H2,1H3/t16-/m1/s1.
What are the key properties of ethyl 2-[(3R)-4-[1-(2-cyclohexylethyl)triazole-4-carbonyl]morpholin-3-yl]acetate?
ethyl 2-[(3R)-4-[1-(2-cyclohexylethyl)triazole-4-carbonyl]morpholin-3-yl]acetate has a molecular weight of 378.47 g/mol, XLogP of 2.04, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(3R)-4-[1-(2-cyclohexylethyl)triazole-4-carbonyl]morpholin-3-yl]acetate is sourced from PubChem (CID 25369911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).