(2S,5S)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-5-methyl-2-(2-methylphenyl)morpholine-4-carboxamide

C18H25N5O2 — CID 96566156

IUPAC(2S,5S)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-5-methyl-2-(2-methylphenyl)morpholine-4-carboxamide
SMILESCCn1cnnc1CNC(=O)N1C[C@H](c2ccccc2C)OC[C@@H]1C
InChIInChI=1S/C18H25N5O2/c1-4-22-12-20-21-17(22)9-19-18(24)23-10-16(25-11-14(23)3)15-8-6-5-7-13(15)2/h5-8,12,14,16H,4,9-11H2,1-3H3,(H,19,24)/t14-,16+/m0/s1
InChIKeyLGZMJGLDEWDUPK-GOEBONIOSA-N
MW343.43 g/mol
LogP2.28
Rot. Bonds4

About (2S,5S)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-5-methyl-2-(2-methylphenyl)morpholine-4-carboxamide

(2S,5S)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-5-methyl-2-(2-methylphenyl)morpholine-4-carboxamide (PubChem CID 96566156) has the molecular formula C18H25N5O2 and a molecular weight of 343.43 g/mol. Its IUPAC name is (2S,5S)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-5-methyl-2-(2-methylphenyl)morpholine-4-carboxamide.

Molecular Properties

Compound Name(2S,5S)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-5-methyl-2-(2-methylphenyl)morpholine-4-carboxamide
PubChem CID96566156
Molecular FormulaC18H25N5O2
Molecular Weight343.43 g/mol
Exact Mass343.20
IUPAC Name(2S,5S)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-5-methyl-2-(2-methylphenyl)morpholine-4-carboxamide
SMILESCCn1cnnc1CNC(=O)N1C[C@H](c2ccccc2C)OC[C@@H]1C
InChIInChI=1S/C18H25N5O2/c1-4-22-12-20-21-17(22)9-19-18(24)23-10-16(25-11-14(23)3)15-8-6-5-7-13(15)2/h5-8,12,14,16H,4,9-11H2,1-3H3,(H,19,24)/t14-,16+/m0/s1
InChIKeyLGZMJGLDEWDUPK-GOEBONIOSA-N
XLogP2.28
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-amino-1-[(2R,5S)-5-methyl-2-(2-methylphenyl)morpholin-4-yl]butan-1-one
CID 124596152
(2S)-2-amino-1-[(2S,5S)-5-methyl-2-(2-methylphenyl)morpholin-4-yl]pentan-1-one
CID 124682932
2-(cyclopropylamino)-1-[(2R,5S)-5-methyl-2-(2-methylphenyl)morpholin-4-yl]ethanone
CID 124696734
(2R)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-4-methyl-2-phenylpiperazine-1-carboxamide
CID 95126723
(3R)-1-[(2R,5R)-5-methyl-2-(2-methylphenyl)morpholin-4-yl]-3-pyridin-4-ylbutan-1-one
CID 97007562
(3R)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-3-[(2R)-2-hydroxy-2-phenylethyl]morpholine-4-carboxamide
CID 96997622
1-[(4R)-3,4-dihydro-2H-chromen-4-yl]-3-[(4-ethyl-1,2,4-triazol-3-yl)methyl]urea
CID 94156371
(2S,5S)-2-(2-chlorophenyl)-5-methyl-N-[(4-methylsulfonylphenyl)methyl]morpholine-4-carboxamide
CID 99806997
2-[4-[(4-ethyl-1,2,4-triazol-3-yl)methylcarbamoyl]morpholin-3-yl]acetic acid
CID 106303808
(3R)-1-[(2R,5S)-5-methyl-2-(2-methylphenyl)morpholin-4-yl]-3-piperidin-4-ylbutan-1-one
CID 124693668
1-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-3-(2-phenyloxan-4-yl)urea
CID 75523195
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-methyl-5-oxopyrrolidine-3-carboxamide
CID 71895452

Frequently Asked Questions

What is the IUPAC name of (2S,5S)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-5-methyl-2-(2-methylphenyl)morpholine-4-carboxamide?
The IUPAC name of (2S,5S)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-5-methyl-2-(2-methylphenyl)morpholine-4-carboxamide (CID 96566156) is (2S,5S)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-5-methyl-2-(2-methylphenyl)morpholine-4-carboxamide.
What is the SMILES notation for (2S,5S)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-5-methyl-2-(2-methylphenyl)morpholine-4-carboxamide?
The canonical SMILES for (2S,5S)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-5-methyl-2-(2-methylphenyl)morpholine-4-carboxamide is CCn1cnnc1CNC(=O)N1C[C@H](c2ccccc2C)OC[C@@H]1C.
What is the InChIKey of (2S,5S)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-5-methyl-2-(2-methylphenyl)morpholine-4-carboxamide?
The InChIKey is LGZMJGLDEWDUPK-GOEBONIOSA-N. The full InChI is InChI=1S/C18H25N5O2/c1-4-22-12-20-21-17(22)9-19-18(24)23-10-16(25-11-14(23)3)15-8-6-5-7-13(15)2/h5-8,12,14,16H,4,9-11H2,1-3H3,(H,19,24)/t14-,16+/m0/s1.
What are the key properties of (2S,5S)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-5-methyl-2-(2-methylphenyl)morpholine-4-carboxamide?
(2S,5S)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-5-methyl-2-(2-methylphenyl)morpholine-4-carboxamide has a molecular weight of 343.43 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5S)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-5-methyl-2-(2-methylphenyl)morpholine-4-carboxamide is sourced from PubChem (CID 96566156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).