ethyl 2-[4-(1-benzhydryltriazole-4-carbonyl)morpholin-3-yl]acetate

C24H26N4O4 — CID 45178950

IUPACethyl 2-[4-(1-benzhydryltriazole-4-carbonyl)morpholin-3-yl]acetate
SMILESCCOC(=O)CC1COCCN1C(=O)c1cn(C(c2ccccc2)c2ccccc2)nn1
InChIInChI=1S/C24H26N4O4/c1-2-32-22(29)15-20-17-31-14-13-27(20)24(30)21-16-28(26-25-21)23(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-12,16,20,23H,2,13-15,17H2,1H3
InChIKeyWBQAXPIRNJUNHU-UHFFFAOYSA-N
MW434.50 g/mol
LogP2.71
Rot. Bonds7

About ethyl 2-[4-(1-benzhydryltriazole-4-carbonyl)morpholin-3-yl]acetate

ethyl 2-[4-(1-benzhydryltriazole-4-carbonyl)morpholin-3-yl]acetate (PubChem CID 45178950) has the molecular formula C24H26N4O4 and a molecular weight of 434.50 g/mol. Its IUPAC name is ethyl 2-[4-(1-benzhydryltriazole-4-carbonyl)morpholin-3-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[4-(1-benzhydryltriazole-4-carbonyl)morpholin-3-yl]acetate
PubChem CID45178950
Molecular FormulaC24H26N4O4
Molecular Weight434.50 g/mol
Exact Mass434.20
IUPAC Nameethyl 2-[4-(1-benzhydryltriazole-4-carbonyl)morpholin-3-yl]acetate
SMILESCCOC(=O)CC1COCCN1C(=O)c1cn(C(c2ccccc2)c2ccccc2)nn1
InChIInChI=1S/C24H26N4O4/c1-2-32-22(29)15-20-17-31-14-13-27(20)24(30)21-16-28(26-25-21)23(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-12,16,20,23H,2,13-15,17H2,1H3
InChIKeyWBQAXPIRNJUNHU-UHFFFAOYSA-N
XLogP2.71
TPSA86.55 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.50
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 2-[(3R)-4-[1-(2-cyclohexylethyl)triazole-4-carbonyl]morpholin-3-yl]acetate
CID 25369911
ethyl (2R)-1-(1-benzhydryltriazole-4-carbonyl)piperidine-2-carboxylate
CID 42151531
2-[(3S)-4-[1-(3-methylphenyl)triazole-4-carbonyl]morpholin-3-yl]acetic acid
CID 129469806
ethyl 2-[4-(3-methylimidazole-4-carbonyl)morpholin-3-yl]acetate;2,2,2-trifluoroacetic acid
CID 154888697
ethyl 2-[4-[5-(phenoxymethyl)pyrazolidine-3-carbonyl]morpholin-3-yl]acetate
CID 74778132
N-[2-[(2R)-1-(1-benzhydryltriazole-4-carbonyl)piperidin-2-yl]ethyl]acetamide
CID 42114508
ethyl 2-[(3S)-4-[5-(quinolin-8-yloxymethyl)-1,2-oxazole-3-carbonyl]morpholin-3-yl]acetate
CID 25380946
(1-benzhydryltriazol-4-yl)-[(2R)-2-(2-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 42377969
2-[(3R)-4-(3,3-diphenylpropanoyl)morpholin-3-yl]acetic acid
CID 129469743
ethyl 3-benzylmorpholine-4-carboxylate
CID 110749949
ethyl 3-[2-[(3R)-3-(hydroxymethyl)morpholine-4-carbonyl]phenyl]propanoate
CID 156874450
1-(4-methylphenyl)-4-[(3S)-3-phenacylmorpholin-4-yl]butane-1,4-dione
CID 97320578

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-(1-benzhydryltriazole-4-carbonyl)morpholin-3-yl]acetate?
The IUPAC name of ethyl 2-[4-(1-benzhydryltriazole-4-carbonyl)morpholin-3-yl]acetate (CID 45178950) is ethyl 2-[4-(1-benzhydryltriazole-4-carbonyl)morpholin-3-yl]acetate.
What is the SMILES notation for ethyl 2-[4-(1-benzhydryltriazole-4-carbonyl)morpholin-3-yl]acetate?
The canonical SMILES for ethyl 2-[4-(1-benzhydryltriazole-4-carbonyl)morpholin-3-yl]acetate is CCOC(=O)CC1COCCN1C(=O)c1cn(C(c2ccccc2)c2ccccc2)nn1.
What is the InChIKey of ethyl 2-[4-(1-benzhydryltriazole-4-carbonyl)morpholin-3-yl]acetate?
The InChIKey is WBQAXPIRNJUNHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O4/c1-2-32-22(29)15-20-17-31-14-13-27(20)24(30)21-16-28(26-25-21)23(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-12,16,20,23H,2,13-15,17H2,1H3.
What are the key properties of ethyl 2-[4-(1-benzhydryltriazole-4-carbonyl)morpholin-3-yl]acetate?
ethyl 2-[4-(1-benzhydryltriazole-4-carbonyl)morpholin-3-yl]acetate has a molecular weight of 434.50 g/mol, XLogP of 2.71, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-(1-benzhydryltriazole-4-carbonyl)morpholin-3-yl]acetate is sourced from PubChem (CID 45178950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).