(2S)-2-ethyl-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]morpholine-4-carboxamide

C17H23N5O2 — CID 94030790

IUPAC(2S)-2-ethyl-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]morpholine-4-carboxamide
SMILESCC[C@H]1CN(C(=O)NCc2ccccc2Cn2cncn2)CCO1
InChIInChI=1S/C17H23N5O2/c1-2-16-11-21(7-8-24-16)17(23)19-9-14-5-3-4-6-15(14)10-22-13-18-12-20-22/h3-6,12-13,16H,2,7-11H2,1H3,(H,19,23)/t16-/m0/s1
InChIKeyGENWETOUQKHQLC-INIZCTEOSA-N
MW329.40 g/mol
LogP1.65
Rot. Bonds5

About (2S)-2-ethyl-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]morpholine-4-carboxamide

(2S)-2-ethyl-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]morpholine-4-carboxamide (PubChem CID 94030790) has the molecular formula C17H23N5O2 and a molecular weight of 329.40 g/mol. Its IUPAC name is (2S)-2-ethyl-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]morpholine-4-carboxamide.

Molecular Properties

Compound Name(2S)-2-ethyl-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]morpholine-4-carboxamide
PubChem CID94030790
Molecular FormulaC17H23N5O2
Molecular Weight329.40 g/mol
Exact Mass329.19
IUPAC Name(2S)-2-ethyl-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]morpholine-4-carboxamide
SMILESCC[C@H]1CN(C(=O)NCc2ccccc2Cn2cncn2)CCO1
InChIInChI=1S/C17H23N5O2/c1-2-16-11-21(7-8-24-16)17(23)19-9-14-5-3-4-6-15(14)10-22-13-18-12-20-22/h3-6,12-13,16H,2,7-11H2,1H3,(H,19,23)/t16-/m0/s1
InChIKeyGENWETOUQKHQLC-INIZCTEOSA-N
XLogP1.65
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S,6S)-2,6-dimethyl-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]morpholine-4-carboxamide
CID 35669651
1-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]piperidine-1,4-dicarboxamide
CID 35669769
(2R,6S)-2-ethyl-6-methyl-N-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]morpholine-4-carboxamide
CID 95622043
2-methyl-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]butanamide
CID 42957266
(2R)-2-ethyl-N-[(1-phenylpyrazol-4-yl)methyl]morpholine-4-carboxamide
CID 95280201
(2R)-2-ethyl-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]morpholine-4-carboxamide
CID 95285314
N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]ethanamine
CID 62447936
(2S)-2-benzyl-N-[(2S)-1-(1,2,4-triazol-1-yl)propan-2-yl]morpholine-4-carboxamide
CID 97336914
[2-(4-fluoro-3-methylphenyl)morpholin-4-yl]-[2-(1,2,4-triazol-1-ylmethyl)phenyl]methanone
CID 126787424
2-(cyclopropylmethylamino)-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]acetamide
CID 119846776
(2R)-5-oxo-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 97079995
cis-(1S,2R)-2-phenyl-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]cyclopropane-1-carboxamide
CID 95169645

Frequently Asked Questions

What is the IUPAC name of (2S)-2-ethyl-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]morpholine-4-carboxamide?
The IUPAC name of (2S)-2-ethyl-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]morpholine-4-carboxamide (CID 94030790) is (2S)-2-ethyl-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]morpholine-4-carboxamide.
What is the SMILES notation for (2S)-2-ethyl-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]morpholine-4-carboxamide?
The canonical SMILES for (2S)-2-ethyl-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]morpholine-4-carboxamide is CC[C@H]1CN(C(=O)NCc2ccccc2Cn2cncn2)CCO1.
What is the InChIKey of (2S)-2-ethyl-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]morpholine-4-carboxamide?
The InChIKey is GENWETOUQKHQLC-INIZCTEOSA-N. The full InChI is InChI=1S/C17H23N5O2/c1-2-16-11-21(7-8-24-16)17(23)19-9-14-5-3-4-6-15(14)10-22-13-18-12-20-22/h3-6,12-13,16H,2,7-11H2,1H3,(H,19,23)/t16-/m0/s1.
What are the key properties of (2S)-2-ethyl-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]morpholine-4-carboxamide?
(2S)-2-ethyl-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]morpholine-4-carboxamide has a molecular weight of 329.40 g/mol, XLogP of 1.65, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-ethyl-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]morpholine-4-carboxamide is sourced from PubChem (CID 94030790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).