(2S,6S)-2,6-dimethyl-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]morpholine-4-carboxamide

C17H23N5O2 — CID 35669651

IUPAC(2S,6S)-2,6-dimethyl-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]morpholine-4-carboxamide
SMILESC[C@H]1CN(C(=O)NCc2ccccc2Cn2cncn2)C[C@H](C)O1
InChIInChI=1S/C17H23N5O2/c1-13-8-21(9-14(2)24-13)17(23)19-7-15-5-3-4-6-16(15)10-22-12-18-11-20-22/h3-6,11-14H,7-10H2,1-2H3,(H,19,23)/t13-,14-/m0/s1
InChIKeyAPVSWNDKVLTXAZ-KBPBESRZSA-N
MW329.40 g/mol
LogP1.65
Rot. Bonds4

About (2S,6S)-2,6-dimethyl-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]morpholine-4-carboxamide

(2S,6S)-2,6-dimethyl-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]morpholine-4-carboxamide (PubChem CID 35669651) has the molecular formula C17H23N5O2 and a molecular weight of 329.40 g/mol. Its IUPAC name is (2S,6S)-2,6-dimethyl-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]morpholine-4-carboxamide.

Molecular Properties

Compound Name(2S,6S)-2,6-dimethyl-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]morpholine-4-carboxamide
PubChem CID35669651
Molecular FormulaC17H23N5O2
Molecular Weight329.40 g/mol
Exact Mass329.19
IUPAC Name(2S,6S)-2,6-dimethyl-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]morpholine-4-carboxamide
SMILESC[C@H]1CN(C(=O)NCc2ccccc2Cn2cncn2)C[C@H](C)O1
InChIInChI=1S/C17H23N5O2/c1-13-8-21(9-14(2)24-13)17(23)19-7-15-5-3-4-6-16(15)10-22-12-18-11-20-22/h3-6,11-14H,7-10H2,1-2H3,(H,19,23)/t13-,14-/m0/s1
InChIKeyAPVSWNDKVLTXAZ-KBPBESRZSA-N
XLogP1.65
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
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

Analyze (2S,6S)-2,6-dimethyl-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]morpholine-4-carboxamide with MolForge

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Related Compounds

(2S)-2-ethyl-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]morpholine-4-carboxamide
CID 94030790
2,6-dimethyl-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]morpholine-4-carboxamide
CID 51291268
(2R,6S)-2-ethyl-6-methyl-N-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]morpholine-4-carboxamide
CID 95622043
1-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]piperidine-1,4-dicarboxamide
CID 35669769
N-[[2-(methoxymethyl)phenyl]methyl]-2,6-dimethylmorpholine-4-carboxamide
CID 42958139
cis-(1S,2R)-2-phenyl-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]cyclopropane-1-carboxamide
CID 95169645
2-methyl-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]butanamide
CID 42957266
[(2R,6R)-2,6-dimethylmorpholin-4-yl]-[4-(1,2,4-triazol-1-ylmethyl)phenyl]methanone
CID 42031790
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
2-[2-[[(3,4-dimethylpyrrolidine-1-carbonyl)amino]methyl]phenyl]acetic acid
CID 81311304
N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]ethanamine
CID 62447936

Frequently Asked Questions

What is the IUPAC name of (2S,6S)-2,6-dimethyl-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]morpholine-4-carboxamide?
The IUPAC name of (2S,6S)-2,6-dimethyl-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]morpholine-4-carboxamide (CID 35669651) is (2S,6S)-2,6-dimethyl-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]morpholine-4-carboxamide.
What is the SMILES notation for (2S,6S)-2,6-dimethyl-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]morpholine-4-carboxamide?
The canonical SMILES for (2S,6S)-2,6-dimethyl-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]morpholine-4-carboxamide is C[C@H]1CN(C(=O)NCc2ccccc2Cn2cncn2)C[C@H](C)O1.
What is the InChIKey of (2S,6S)-2,6-dimethyl-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]morpholine-4-carboxamide?
The InChIKey is APVSWNDKVLTXAZ-KBPBESRZSA-N. The full InChI is InChI=1S/C17H23N5O2/c1-13-8-21(9-14(2)24-13)17(23)19-7-15-5-3-4-6-16(15)10-22-12-18-11-20-22/h3-6,11-14H,7-10H2,1-2H3,(H,19,23)/t13-,14-/m0/s1.
What are the key properties of (2S,6S)-2,6-dimethyl-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]morpholine-4-carboxamide?
(2S,6S)-2,6-dimethyl-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, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6S)-2,6-dimethyl-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]morpholine-4-carboxamide is sourced from PubChem (CID 35669651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).