(2R)-N-[2-(3-methylphenoxy)ethyl]-2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholine-4-carboxamide

C17H23N5O3 — CID 124608412

IUPAC(2R)-N-[2-(3-methylphenoxy)ethyl]-2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholine-4-carboxamide
SMILESCc1cccc(OCCNC(=O)N2CCO[C@@H](c3n[nH]c(C)n3)C2)c1
InChIInChI=1S/C17H23N5O3/c1-12-4-3-5-14(10-12)24-8-6-18-17(23)22-7-9-25-15(11-22)16-19-13(2)20-21-16/h3-5,10,15H,6-9,11H2,1-2H3,(H,18,23)(H,19,20,21)/t15-/m1/s1
InChIKeyYOZOQHFRBMSQBZ-OAHLLOKOSA-N
MW345.40 g/mol
LogP1.58
Rot. Bonds5

About (2R)-N-[2-(3-methylphenoxy)ethyl]-2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholine-4-carboxamide

(2R)-N-[2-(3-methylphenoxy)ethyl]-2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholine-4-carboxamide (PubChem CID 124608412) has the molecular formula C17H23N5O3 and a molecular weight of 345.40 g/mol. Its IUPAC name is (2R)-N-[2-(3-methylphenoxy)ethyl]-2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholine-4-carboxamide.

Molecular Properties

Compound Name(2R)-N-[2-(3-methylphenoxy)ethyl]-2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholine-4-carboxamide
PubChem CID124608412
Molecular FormulaC17H23N5O3
Molecular Weight345.40 g/mol
Exact Mass345.18
IUPAC Name(2R)-N-[2-(3-methylphenoxy)ethyl]-2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholine-4-carboxamide
SMILESCc1cccc(OCCNC(=O)N2CCO[C@@H](c3n[nH]c(C)n3)C2)c1
InChIInChI=1S/C17H23N5O3/c1-12-4-3-5-14(10-12)24-8-6-18-17(23)22-7-9-25-15(11-22)16-19-13(2)20-21-16/h3-5,10,15H,6-9,11H2,1-2H3,(H,18,23)(H,19,20,21)/t15-/m1/s1
InChIKeyYOZOQHFRBMSQBZ-OAHLLOKOSA-N
XLogP1.58
TPSA92.37 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2S)-4-[3-(3-chlorophenoxy)propyl]-2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholine
CID 95780268
4-(2-hydroxyphenyl)-N-[2-(3-methylphenoxy)ethyl]piperazine-1-carboxamide
CID 38151158
4-(4-fluorophenyl)-N-[2-(3-methylphenoxy)ethyl]piperazine-1-carboxamide
CID 112969930
2-(6-methyl-3-pyridinyl)-1-[(2R)-2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]ethanone
CID 97006454
2-(3-methylphenoxy)-N-[2-oxo-2-[(2S)-2-phenylmorpholin-4-yl]ethyl]acetamide
CID 30851152
N-[2-(3-methylphenoxy)ethyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 41253166
4-benzyl-N-[2-(3-methylphenoxy)ethyl]piperidine-1-carboxamide
CID 112969940
2-(cyclopropylmethoxy)-1-[2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]ethanone
CID 167785665
2-methyl-2-(3-methylphenoxy)-1-[2-[6-(pyrazin-2-ylamino)-2-pyridinyl]morpholin-4-yl]propan-1-one
CID 110093026
2-(4-fluorophenyl)-N-[2-(2-methoxyphenoxy)ethyl]morpholine-4-carboxamide
CID 55770291
[(2S)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-[(1R,2S)-2-(3-methylphenyl)cyclopropyl]methanone
CID 97059542
[(2S)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-[(1R,2R)-2-(3-methylphenyl)cyclopropyl]methanone
CID 129490669

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[2-(3-methylphenoxy)ethyl]-2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholine-4-carboxamide?
The IUPAC name of (2R)-N-[2-(3-methylphenoxy)ethyl]-2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholine-4-carboxamide (CID 124608412) is (2R)-N-[2-(3-methylphenoxy)ethyl]-2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholine-4-carboxamide.
What is the SMILES notation for (2R)-N-[2-(3-methylphenoxy)ethyl]-2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholine-4-carboxamide?
The canonical SMILES for (2R)-N-[2-(3-methylphenoxy)ethyl]-2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholine-4-carboxamide is Cc1cccc(OCCNC(=O)N2CCO[C@@H](c3n[nH]c(C)n3)C2)c1.
What is the InChIKey of (2R)-N-[2-(3-methylphenoxy)ethyl]-2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholine-4-carboxamide?
The InChIKey is YOZOQHFRBMSQBZ-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H23N5O3/c1-12-4-3-5-14(10-12)24-8-6-18-17(23)22-7-9-25-15(11-22)16-19-13(2)20-21-16/h3-5,10,15H,6-9,11H2,1-2H3,(H,18,23)(H,19,20,21)/t15-/m1/s1.
What are the key properties of (2R)-N-[2-(3-methylphenoxy)ethyl]-2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholine-4-carboxamide?
(2R)-N-[2-(3-methylphenoxy)ethyl]-2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholine-4-carboxamide has a molecular weight of 345.40 g/mol, XLogP of 1.58, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[2-(3-methylphenoxy)ethyl]-2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholine-4-carboxamide is sourced from PubChem (CID 124608412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).