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

C16H21N5O2 — CID 95285314

IUPAC(2R)-2-ethyl-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]morpholine-4-carboxamide
SMILESCC[C@@H]1CN(C(=O)NCc2nncn2-c2ccccc2)CCO1
InChIInChI=1S/C16H21N5O2/c1-2-14-11-20(8-9-23-14)16(22)17-10-15-19-18-12-21(15)13-6-4-3-5-7-13/h3-7,12,14H,2,8-11H2,1H3,(H,17,22)/t14-/m1/s1
InChIKeyLUFHDEVSMKSMNK-CQSZACIVSA-N
MW315.38 g/mol
LogP1.59
Rot. Bonds4

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

(2R)-2-ethyl-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]morpholine-4-carboxamide (PubChem CID 95285314) has the molecular formula C16H21N5O2 and a molecular weight of 315.38 g/mol. Its IUPAC name is (2R)-2-ethyl-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]morpholine-4-carboxamide.

Molecular Properties

Compound Name(2R)-2-ethyl-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]morpholine-4-carboxamide
PubChem CID95285314
Molecular FormulaC16H21N5O2
Molecular Weight315.38 g/mol
Exact Mass315.17
IUPAC Name(2R)-2-ethyl-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]morpholine-4-carboxamide
SMILESCC[C@@H]1CN(C(=O)NCc2nncn2-c2ccccc2)CCO1
InChIInChI=1S/C16H21N5O2/c1-2-14-11-20(8-9-23-14)16(22)17-10-15-19-18-12-21(15)13-6-4-3-5-7-13/h3-7,12,14H,2,8-11H2,1H3,(H,17,22)/t14-/m1/s1
InChIKeyLUFHDEVSMKSMNK-CQSZACIVSA-N
XLogP1.59
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-ethyl-N-[(1-phenylpyrazol-4-yl)methyl]morpholine-4-carboxamide
CID 95280201
2-[4-[[(2-ethylmorpholine-4-carbonyl)amino]methyl]triazol-1-yl]acetic acid
CID 115458536
(2R,3R)-2-methyl-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]oxane-3-carboxamide
CID 129399614
(2S)-2-ethyl-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]morpholine-4-carboxamide
CID 94030790
2-methyl-1-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-3-[(4-phenyl-1,2,4-triazol-3-yl)methyl]guanidine;hydroiodide
CID 111369348
methyl 1-[N'-methyl-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]carbamimidoyl]piperidine-4-carboxylate
CID 111254453
(2R)-2-benzyl-N-[(1-methylimidazol-2-yl)methyl]morpholine-4-carboxamide
CID 97336922
2-methoxy-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]acetamide
CID 53497973
1-(1-hydroxypentan-3-yl)-3-[(4-phenyl-1,2,4-triazol-3-yl)methyl]urea
CID 111454543
2-[(2-ethylmorpholine-4-carbonyl)amino]benzoic acid
CID 61203216
N-(2-aminoethyl)-2-ethylmorpholine-4-carboxamide
CID 82506232
2-methyl-N'-[(4-phenyl-1,2,4-triazol-3-yl)methyl]morpholine-4-carboximidamide;hydroiodide
CID 120661279

Frequently Asked Questions

What is the IUPAC name of (2R)-2-ethyl-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]morpholine-4-carboxamide?
The IUPAC name of (2R)-2-ethyl-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]morpholine-4-carboxamide (CID 95285314) is (2R)-2-ethyl-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]morpholine-4-carboxamide.
What is the SMILES notation for (2R)-2-ethyl-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]morpholine-4-carboxamide?
The canonical SMILES for (2R)-2-ethyl-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]morpholine-4-carboxamide is CC[C@@H]1CN(C(=O)NCc2nncn2-c2ccccc2)CCO1.
What is the InChIKey of (2R)-2-ethyl-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]morpholine-4-carboxamide?
The InChIKey is LUFHDEVSMKSMNK-CQSZACIVSA-N. The full InChI is InChI=1S/C16H21N5O2/c1-2-14-11-20(8-9-23-14)16(22)17-10-15-19-18-12-21(15)13-6-4-3-5-7-13/h3-7,12,14H,2,8-11H2,1H3,(H,17,22)/t14-/m1/s1.
What are the key properties of (2R)-2-ethyl-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]morpholine-4-carboxamide?
(2R)-2-ethyl-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]morpholine-4-carboxamide has a molecular weight of 315.38 g/mol, XLogP of 1.59, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-ethyl-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]morpholine-4-carboxamide is sourced from PubChem (CID 95285314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).