4-benzyl-N-(1-imidazol-1-ylpropan-2-yl)-5-oxomorpholine-3-carboxamide

C18H22N4O3 — CID 71877714

IUPAC4-benzyl-N-(1-imidazol-1-ylpropan-2-yl)-5-oxomorpholine-3-carboxamide
SMILESCC(Cn1ccnc1)NC(=O)C1COCC(=O)N1Cc1ccccc1
InChIInChI=1S/C18H22N4O3/c1-14(9-21-8-7-19-13-21)20-18(24)16-11-25-12-17(23)22(16)10-15-5-3-2-4-6-15/h2-8,13-14,16H,9-12H2,1H3,(H,20,24)
InChIKeyRMHBEVZXVJHTQL-UHFFFAOYSA-N
MW342.40 g/mol
LogP0.82
Rot. Bonds6

About 4-benzyl-N-(1-imidazol-1-ylpropan-2-yl)-5-oxomorpholine-3-carboxamide

4-benzyl-N-(1-imidazol-1-ylpropan-2-yl)-5-oxomorpholine-3-carboxamide (PubChem CID 71877714) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is 4-benzyl-N-(1-imidazol-1-ylpropan-2-yl)-5-oxomorpholine-3-carboxamide.

Molecular Properties

Compound Name4-benzyl-N-(1-imidazol-1-ylpropan-2-yl)-5-oxomorpholine-3-carboxamide
PubChem CID71877714
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC Name4-benzyl-N-(1-imidazol-1-ylpropan-2-yl)-5-oxomorpholine-3-carboxamide
SMILESCC(Cn1ccnc1)NC(=O)C1COCC(=O)N1Cc1ccccc1
InChIInChI=1S/C18H22N4O3/c1-14(9-21-8-7-19-13-21)20-18(24)16-11-25-12-17(23)22(16)10-15-5-3-2-4-6-15/h2-8,13-14,16H,9-12H2,1H3,(H,20,24)
InChIKeyRMHBEVZXVJHTQL-UHFFFAOYSA-N
XLogP0.82
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-benzyl-N-(1-imidazol-1-ylpropan-2-yl)-5-oxomorpholine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-benzyl-5-oxo-N-(1-pyrazol-1-ylpropan-2-yl)morpholine-3-carboxamide
CID 71877725
(3S)-4-benzyl-5-oxo-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]morpholine-3-carboxamide
CID 97086193
5-oxo-N-(4-phenylbutan-2-yl)-4-(thiophen-2-ylmethyl)morpholine-3-carboxamide
CID 71801175
(3R)-5-oxo-N-[(2R)-4-phenylbutan-2-yl]-4-(thiophen-2-ylmethyl)morpholine-3-carboxamide
CID 97040862
(3R)-N-(2-aminoethyl)-4-benzyl-5-oxomorpholine-3-carboxamide
CID 119383741
4-benzyl-N-(2-methylsulfonylethyl)-5-oxomorpholine-3-carboxamide
CID 71877839
(3R)-4-benzyl-N-(cyclopropylmethyl)-5-oxomorpholine-3-carboxamide
CID 97082159
N-(1-imidazol-1-ylpropan-2-yl)-1-oxo-3,4-dihydroisochromene-3-carboxamide
CID 51079761
(3S)-4-benzyl-N-(4-methoxy-3-pyridinyl)-5-oxomorpholine-3-carboxamide
CID 97064438
4-benzyl-N-(1,3-dihydroxy-2-methylpropan-2-yl)-5-oxomorpholine-3-carboxamide
CID 71792156
(3R)-4-benzyl-N-(6-methyl-2-pyridinyl)-5-oxomorpholine-3-carboxamide
CID 95368620
1-(2-benzylpyrazol-3-yl)-3-[(2R)-1-imidazol-1-ylpropan-2-yl]urea
CID 95273993

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-N-(1-imidazol-1-ylpropan-2-yl)-5-oxomorpholine-3-carboxamide?
The IUPAC name of 4-benzyl-N-(1-imidazol-1-ylpropan-2-yl)-5-oxomorpholine-3-carboxamide (CID 71877714) is 4-benzyl-N-(1-imidazol-1-ylpropan-2-yl)-5-oxomorpholine-3-carboxamide.
What is the SMILES notation for 4-benzyl-N-(1-imidazol-1-ylpropan-2-yl)-5-oxomorpholine-3-carboxamide?
The canonical SMILES for 4-benzyl-N-(1-imidazol-1-ylpropan-2-yl)-5-oxomorpholine-3-carboxamide is CC(Cn1ccnc1)NC(=O)C1COCC(=O)N1Cc1ccccc1.
What is the InChIKey of 4-benzyl-N-(1-imidazol-1-ylpropan-2-yl)-5-oxomorpholine-3-carboxamide?
The InChIKey is RMHBEVZXVJHTQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3/c1-14(9-21-8-7-19-13-21)20-18(24)16-11-25-12-17(23)22(16)10-15-5-3-2-4-6-15/h2-8,13-14,16H,9-12H2,1H3,(H,20,24).
What are the key properties of 4-benzyl-N-(1-imidazol-1-ylpropan-2-yl)-5-oxomorpholine-3-carboxamide?
4-benzyl-N-(1-imidazol-1-ylpropan-2-yl)-5-oxomorpholine-3-carboxamide has a molecular weight of 342.40 g/mol, XLogP of 0.82, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-N-(1-imidazol-1-ylpropan-2-yl)-5-oxomorpholine-3-carboxamide is sourced from PubChem (CID 71877714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).