N-[[2-[(2S)-4-[(E)-3-phenylprop-2-enoyl]morpholin-2-yl]-1H-imidazol-5-yl]methyl]acetamide

C19H22N4O3 — CID 124948396

IUPACN-[[2-[(2S)-4-[(E)-3-phenylprop-2-enoyl]morpholin-2-yl]-1H-imidazol-5-yl]methyl]acetamide
SMILESCC(=O)NCc1cnc([C@@H]2CN(C(=O)/C=C/c3ccccc3)CCO2)[nH]1
InChIInChI=1S/C19H22N4O3/c1-14(24)20-11-16-12-21-19(22-16)17-13-23(9-10-26-17)18(25)8-7-15-5-3-2-4-6-15/h2-8,12,17H,9-11,13H2,1H3,(H,20,24)(H,21,22)/b8-7+/t17-/m0/s1
InChIKeyCMOVQPQDIZSDDH-OZSKJFCKSA-N
MW354.41 g/mol
LogP1.66
Rot. Bonds5

About N-[[2-[(2S)-4-[(E)-3-phenylprop-2-enoyl]morpholin-2-yl]-1H-imidazol-5-yl]methyl]acetamide

N-[[2-[(2S)-4-[(E)-3-phenylprop-2-enoyl]morpholin-2-yl]-1H-imidazol-5-yl]methyl]acetamide (PubChem CID 124948396) has the molecular formula C19H22N4O3 and a molecular weight of 354.41 g/mol. Its IUPAC name is N-[[2-[(2S)-4-[(E)-3-phenylprop-2-enoyl]morpholin-2-yl]-1H-imidazol-5-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[2-[(2S)-4-[(E)-3-phenylprop-2-enoyl]morpholin-2-yl]-1H-imidazol-5-yl]methyl]acetamide
PubChem CID124948396
Molecular FormulaC19H22N4O3
Molecular Weight354.41 g/mol
Exact Mass354.17
IUPAC NameN-[[2-[(2S)-4-[(E)-3-phenylprop-2-enoyl]morpholin-2-yl]-1H-imidazol-5-yl]methyl]acetamide
SMILESCC(=O)NCc1cnc([C@@H]2CN(C(=O)/C=C/c3ccccc3)CCO2)[nH]1
InChIInChI=1S/C19H22N4O3/c1-14(24)20-11-16-12-21-19(22-16)17-13-23(9-10-26-17)18(25)8-7-15-5-3-2-4-6-15/h2-8,12,17H,9-11,13H2,1H3,(H,20,24)(H,21,22)/b8-7+/t17-/m0/s1
InChIKeyCMOVQPQDIZSDDH-OZSKJFCKSA-N
XLogP1.66
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-[[2-[(2S)-4-(pyridine-2-carbonyl)morpholin-2-yl]-1H-imidazol-5-yl]methyl]acetamide
CID 125021716
N-[[2-[4-(2-thiophen-3-ylacetyl)morpholin-2-yl]-1H-imidazol-5-yl]methyl]acetamide
CID 110117117
N-[2-[2-[5-[(dimethylamino)methyl]-1H-imidazol-2-yl]morpholin-4-yl]-2-oxoethyl]acetamide
CID 110117072
N-[[2-[4-(5-ethyl-1,2-oxazole-3-carbonyl)morpholin-2-yl]-1H-imidazol-5-yl]methyl]acetamide
CID 110117119
(E)-1-[(2S)-2-(2,6-dimethylpyrimidin-4-yl)morpholin-4-yl]-3-phenylprop-2-en-1-one
CID 124945662
1-[(2R)-2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-3-phenylpropan-1-one
CID 124972553
N-[[2-[(3S)-1-(2-phenylethyl)pyrrolidin-3-yl]-1H-imidazol-5-yl]methyl]acetamide
CID 124963297
N-[4-[(E)-3-[2-(4-fluorophenyl)morpholin-4-yl]-3-oxoprop-1-enyl]phenyl]acetamide
CID 134044371
(E)-1-[(2R)-2-[6-methyl-4-(methylamino)-2-pyridinyl]morpholin-4-yl]-3-phenylprop-2-en-1-one
CID 124951344
4-[3-[2-(acetamidomethyl)morpholin-4-yl]-3-oxoprop-1-enyl]benzoic acid
CID 126781394
(E)-1-[(2R)-2-[6-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-2-pyridinyl]morpholin-4-yl]-3-phenylprop-2-en-1-one
CID 125025894
1-(2-phenylmorpholin-4-yl)but-2-en-1-one
CID 112727078

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(2S)-4-[(E)-3-phenylprop-2-enoyl]morpholin-2-yl]-1H-imidazol-5-yl]methyl]acetamide?
The IUPAC name of N-[[2-[(2S)-4-[(E)-3-phenylprop-2-enoyl]morpholin-2-yl]-1H-imidazol-5-yl]methyl]acetamide (CID 124948396) is N-[[2-[(2S)-4-[(E)-3-phenylprop-2-enoyl]morpholin-2-yl]-1H-imidazol-5-yl]methyl]acetamide.
What is the SMILES notation for N-[[2-[(2S)-4-[(E)-3-phenylprop-2-enoyl]morpholin-2-yl]-1H-imidazol-5-yl]methyl]acetamide?
The canonical SMILES for N-[[2-[(2S)-4-[(E)-3-phenylprop-2-enoyl]morpholin-2-yl]-1H-imidazol-5-yl]methyl]acetamide is CC(=O)NCc1cnc([C@@H]2CN(C(=O)/C=C/c3ccccc3)CCO2)[nH]1.
What is the InChIKey of N-[[2-[(2S)-4-[(E)-3-phenylprop-2-enoyl]morpholin-2-yl]-1H-imidazol-5-yl]methyl]acetamide?
The InChIKey is CMOVQPQDIZSDDH-OZSKJFCKSA-N. The full InChI is InChI=1S/C19H22N4O3/c1-14(24)20-11-16-12-21-19(22-16)17-13-23(9-10-26-17)18(25)8-7-15-5-3-2-4-6-15/h2-8,12,17H,9-11,13H2,1H3,(H,20,24)(H,21,22)/b8-7+/t17-/m0/s1.
What are the key properties of N-[[2-[(2S)-4-[(E)-3-phenylprop-2-enoyl]morpholin-2-yl]-1H-imidazol-5-yl]methyl]acetamide?
N-[[2-[(2S)-4-[(E)-3-phenylprop-2-enoyl]morpholin-2-yl]-1H-imidazol-5-yl]methyl]acetamide has a molecular weight of 354.41 g/mol, XLogP of 1.66, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(2S)-4-[(E)-3-phenylprop-2-enoyl]morpholin-2-yl]-1H-imidazol-5-yl]methyl]acetamide is sourced from PubChem (CID 124948396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).