N-methyl-2-[(2R)-2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-N-[(1R)-1-phenylethyl]acetamide

C18H25N5O2 — CID 129461872

IUPACN-methyl-2-[(2R)-2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-N-[(1R)-1-phenylethyl]acetamide
SMILESCc1nc([C@H]2CN(CC(=O)N(C)[C@H](C)c3ccccc3)CCO2)n[nH]1
InChIInChI=1S/C18H25N5O2/c1-13(15-7-5-4-6-8-15)22(3)17(24)12-23-9-10-25-16(11-23)18-19-14(2)20-21-18/h4-8,13,16H,9-12H2,1-3H3,(H,19,20,21)/t13-,16-/m1/s1
InChIKeyMJSQAKNZPBLQEW-CZUORRHYSA-N
MW343.43 g/mol
LogP1.71
Rot. Bonds5

About N-methyl-2-[(2R)-2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-N-[(1R)-1-phenylethyl]acetamide

N-methyl-2-[(2R)-2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-N-[(1R)-1-phenylethyl]acetamide (PubChem CID 129461872) has the molecular formula C18H25N5O2 and a molecular weight of 343.43 g/mol. Its IUPAC name is N-methyl-2-[(2R)-2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-N-[(1R)-1-phenylethyl]acetamide.

Molecular Properties

Compound NameN-methyl-2-[(2R)-2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-N-[(1R)-1-phenylethyl]acetamide
PubChem CID129461872
Molecular FormulaC18H25N5O2
Molecular Weight343.43 g/mol
Exact Mass343.20
IUPAC NameN-methyl-2-[(2R)-2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-N-[(1R)-1-phenylethyl]acetamide
SMILESCc1nc([C@H]2CN(CC(=O)N(C)[C@H](C)c3ccccc3)CCO2)n[nH]1
InChIInChI=1S/C18H25N5O2/c1-13(15-7-5-4-6-8-15)22(3)17(24)12-23-9-10-25-16(11-23)18-19-14(2)20-21-18/h4-8,13,16H,9-12H2,1-3H3,(H,19,20,21)/t13-,16-/m1/s1
InChIKeyMJSQAKNZPBLQEW-CZUORRHYSA-N
XLogP1.71
TPSA74.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-N-[(1R)-1-phenylethyl]-2-[(2R)-2-(1,2,4-triazol-1-ylmethyl)morpholin-4-yl]acetamide
CID 100843546
(2R)-N-(furan-2-ylmethyl)-N-methyl-2-[(2S)-2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]propanamide
CID 98774993
(2S)-2-(5-methyl-1H-1,2,4-triazol-3-yl)-4-[(1R)-1-pyridin-4-ylethyl]morpholine
CID 98772589
2-[(2S)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-N-(furan-2-ylmethyl)-N-methylacetamide
CID 97059650
(2S)-2-(5-methyl-1H-1,2,4-triazol-3-yl)-4-(2-pyrazol-1-ylethyl)morpholine
CID 96512312
2-[3-(1-aminoethyl)pyrrolidin-1-yl]-N-methyl-N-(1-phenylethyl)acetamide
CID 115969261
(2R)-1-[(2S)-2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 98775062
2-(5-methyl-1H-1,2,4-triazol-3-yl)-4-(thiadiazol-5-ylmethyl)morpholine
CID 136543263
1-benzyl-4-[2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholine-4-carbonyl]pyrrolidin-2-one
CID 127360135
N,N-dimethyl-2-[2-(5-methyl-2-pyridinyl)morpholin-4-yl]acetamide
CID 110270826
(2R)-N-[(2S)-1-(furan-2-yl)propan-2-yl]-2-[(2S)-2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]propanamide
CID 98774996
1-(2,3-dihydroindol-1-yl)-2-[(2R)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]ethanone
CID 97059653

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[(2R)-2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-N-[(1R)-1-phenylethyl]acetamide?
The IUPAC name of N-methyl-2-[(2R)-2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-N-[(1R)-1-phenylethyl]acetamide (CID 129461872) is N-methyl-2-[(2R)-2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-N-[(1R)-1-phenylethyl]acetamide.
What is the SMILES notation for N-methyl-2-[(2R)-2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-N-[(1R)-1-phenylethyl]acetamide?
The canonical SMILES for N-methyl-2-[(2R)-2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-N-[(1R)-1-phenylethyl]acetamide is Cc1nc([C@H]2CN(CC(=O)N(C)[C@H](C)c3ccccc3)CCO2)n[nH]1.
What is the InChIKey of N-methyl-2-[(2R)-2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-N-[(1R)-1-phenylethyl]acetamide?
The InChIKey is MJSQAKNZPBLQEW-CZUORRHYSA-N. The full InChI is InChI=1S/C18H25N5O2/c1-13(15-7-5-4-6-8-15)22(3)17(24)12-23-9-10-25-16(11-23)18-19-14(2)20-21-18/h4-8,13,16H,9-12H2,1-3H3,(H,19,20,21)/t13-,16-/m1/s1.
What are the key properties of N-methyl-2-[(2R)-2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-N-[(1R)-1-phenylethyl]acetamide?
N-methyl-2-[(2R)-2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-N-[(1R)-1-phenylethyl]acetamide has a molecular weight of 343.43 g/mol, XLogP of 1.71, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[(2R)-2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-N-[(1R)-1-phenylethyl]acetamide is sourced from PubChem (CID 129461872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).