3-ethyl-N-[[1-(2-phenylethyl)imidazol-2-yl]methyl]morpholine-4-carboxamide

C19H26N4O2 — CID 71859642

IUPAC3-ethyl-N-[[1-(2-phenylethyl)imidazol-2-yl]methyl]morpholine-4-carboxamide
SMILESCCC1COCCN1C(=O)NCc1nccn1CCc1ccccc1
InChIInChI=1S/C19H26N4O2/c1-2-17-15-25-13-12-23(17)19(24)21-14-18-20-9-11-22(18)10-8-16-6-4-3-5-7-16/h3-7,9,11,17H,2,8,10,12-15H2,1H3,(H,21,24)
InChIKeyDYYBSBWWFDJQPW-UHFFFAOYSA-N
MW342.44 g/mol
LogP2.45
Rot. Bonds6

About 3-ethyl-N-[[1-(2-phenylethyl)imidazol-2-yl]methyl]morpholine-4-carboxamide

3-ethyl-N-[[1-(2-phenylethyl)imidazol-2-yl]methyl]morpholine-4-carboxamide (PubChem CID 71859642) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is 3-ethyl-N-[[1-(2-phenylethyl)imidazol-2-yl]methyl]morpholine-4-carboxamide.

Molecular Properties

Compound Name3-ethyl-N-[[1-(2-phenylethyl)imidazol-2-yl]methyl]morpholine-4-carboxamide
PubChem CID71859642
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name3-ethyl-N-[[1-(2-phenylethyl)imidazol-2-yl]methyl]morpholine-4-carboxamide
SMILESCCC1COCCN1C(=O)NCc1nccn1CCc1ccccc1
InChIInChI=1S/C19H26N4O2/c1-2-17-15-25-13-12-23(17)19(24)21-14-18-20-9-11-22(18)10-8-16-6-4-3-5-7-16/h3-7,9,11,17H,2,8,10,12-15H2,1H3,(H,21,24)
InChIKeyDYYBSBWWFDJQPW-UHFFFAOYSA-N
XLogP2.45
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[1-(2-methyl-1-morpholin-4-ylpropan-2-yl)imidazol-4-yl]pentanamide
CID 54587781
N-(3-imidazol-1-ylpropyl)-N'-(1-phenylethyl)oxamide
CID 2861400
2-methoxy-1-(4-phenyl-4-(1-(1-phenylethyl)-1H-imidazol-2-yl)piperidin-1-yl)ethanone
CID 11373068
N-[(1-ethyl-1H-imidazol-2-yl)methyl]-2-[3-oxo-1-(3-phenylpropyl)-2-piperazinyl]acetamide
CID 24790564
N-isopropyl-N-[(1-methyl-1H-imidazol-2-yl)methyl]-6-oxo-1-(2-phenylethyl)-3-piperidinecarboxamide
CID 45200288
1-[(1-ethyl-1H-imidazol-2-yl)methyl]-N-methyl-N-(2-phenylethyl)-3-piperidinamine
CID 45175611
N-methyl-N-[(1-methyl-1H-imidazol-2-yl)methyl]-1-(3-phenylpropyl)-3-piperidinamine
CID 45245565
(4aR,7aS)-4-[(1-methylimidazol-2-yl)methyl]-6-(3-phenylpropyl)-4a,5,7,7a-tetrahydropyrrolo[3,4-b][1,4]oxazin-3-one
CID 56775142
N-[[4-[[4-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]phenyl]methyl]acetamide
CID 18423038
1-(3-Imidazol-1-ylpropyl)-3-(2-phenylethyl)urea
CID 38155272
N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-imidazol-1-ylbutanamide
CID 4876358
N-[(1-ethyl-1H-imidazol-2-yl)methyl]-N-methyl-1-(3-phenylpropyl)-3-piperidinamine
CID 45188161

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-[[1-(2-phenylethyl)imidazol-2-yl]methyl]morpholine-4-carboxamide?
The IUPAC name of 3-ethyl-N-[[1-(2-phenylethyl)imidazol-2-yl]methyl]morpholine-4-carboxamide (CID 71859642) is 3-ethyl-N-[[1-(2-phenylethyl)imidazol-2-yl]methyl]morpholine-4-carboxamide.
What is the SMILES notation for 3-ethyl-N-[[1-(2-phenylethyl)imidazol-2-yl]methyl]morpholine-4-carboxamide?
The canonical SMILES for 3-ethyl-N-[[1-(2-phenylethyl)imidazol-2-yl]methyl]morpholine-4-carboxamide is CCC1COCCN1C(=O)NCc1nccn1CCc1ccccc1.
What is the InChIKey of 3-ethyl-N-[[1-(2-phenylethyl)imidazol-2-yl]methyl]morpholine-4-carboxamide?
The InChIKey is DYYBSBWWFDJQPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-2-17-15-25-13-12-23(17)19(24)21-14-18-20-9-11-22(18)10-8-16-6-4-3-5-7-16/h3-7,9,11,17H,2,8,10,12-15H2,1H3,(H,21,24).
What are the key properties of 3-ethyl-N-[[1-(2-phenylethyl)imidazol-2-yl]methyl]morpholine-4-carboxamide?
3-ethyl-N-[[1-(2-phenylethyl)imidazol-2-yl]methyl]morpholine-4-carboxamide has a molecular weight of 342.44 g/mol, XLogP of 2.45, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-[[1-(2-phenylethyl)imidazol-2-yl]methyl]morpholine-4-carboxamide is sourced from PubChem (CID 71859642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).