(2-morpholin-4-yl-3-oxobutyl) 3-[(1R)-1-phenylethyl]imidazole-4-carboxylate

C20H25N3O4 — CID 118246244

IUPAC(2-morpholin-4-yl-3-oxobutyl) 3-[(1R)-1-phenylethyl]imidazole-4-carboxylate
SMILESCC(=O)C(COC(=O)c1cncn1[C@H](C)c1ccccc1)N1CCOCC1
InChIInChI=1S/C20H25N3O4/c1-15(17-6-4-3-5-7-17)23-14-21-12-18(23)20(25)27-13-19(16(2)24)22-8-10-26-11-9-22/h3-7,12,14-15,19H,8-11,13H2,1-2H3/t15-,19?/m1/s1
InChIKeyUILJEGYXJUHPLO-NYRJJRHWSA-N
MW371.44 g/mol
LogP1.94
Rot. Bonds7

About (2-morpholin-4-yl-3-oxobutyl) 3-[(1R)-1-phenylethyl]imidazole-4-carboxylate

(2-morpholin-4-yl-3-oxobutyl) 3-[(1R)-1-phenylethyl]imidazole-4-carboxylate (PubChem CID 118246244) has the molecular formula C20H25N3O4 and a molecular weight of 371.44 g/mol. Its IUPAC name is (2-morpholin-4-yl-3-oxobutyl) 3-[(1R)-1-phenylethyl]imidazole-4-carboxylate.

Molecular Properties

Compound Name(2-morpholin-4-yl-3-oxobutyl) 3-[(1R)-1-phenylethyl]imidazole-4-carboxylate
PubChem CID118246244
Molecular FormulaC20H25N3O4
Molecular Weight371.44 g/mol
Exact Mass371.18
IUPAC Name(2-morpholin-4-yl-3-oxobutyl) 3-[(1R)-1-phenylethyl]imidazole-4-carboxylate
SMILESCC(=O)C(COC(=O)c1cncn1[C@H](C)c1ccccc1)N1CCOCC1
InChIInChI=1S/C20H25N3O4/c1-15(17-6-4-3-5-7-17)23-14-21-12-18(23)20(25)27-13-19(16(2)24)22-8-10-26-11-9-22/h3-7,12,14-15,19H,8-11,13H2,1-2H3/t15-,19?/m1/s1
InChIKeyUILJEGYXJUHPLO-NYRJJRHWSA-N
XLogP1.94
TPSA73.66 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(3-oxo-2-phenylbutyl) 3-[(1R)-1-phenylethyl]imidazole-4-carboxylate
CID 118246219
(2-methyl-3-oxopropyl) 3-[(1R)-1-phenylethyl]imidazole-4-carboxylate
CID 129313659
[3-(difluoromethyl)oxetan-3-yl]methyl 3-(1-phenylethyl)imidazole-4-carboxylate
CID 155373636
methoxycarbonyloxymethyl 3-[(1R)-1-phenylethyl]imidazole-4-carboxylate
CID 154601739
(1-acetylcyclobutyl)methyl 3-[(1R)-1-phenylethyl]imidazole-4-carboxylate
CID 118246216
(3-methoxycarbonyloxetan-3-yl)methyl 3-(1-phenylethyl)imidazole-4-carboxylate
CID 78140425
[1-(methoxymethyl)cyclopropyl]methyl 3-(1-phenylethyl)imidazole-4-carboxylate
CID 174880490
3-propan-2-yloxycarbonyloxypropyl 3-(1-phenylethyl)imidazole-4-carboxylate
CID 174877574
[3-(oxiran-2-yl)oxetan-3-yl] 3-(1-phenylethyl)imidazole-4-carboxylate
CID 155373567
(2-cyclobutyloxy-2-oxoethyl) 3-[(1R)-1-phenylethyl]imidazole-4-carboxylate
CID 118246213
2-methylpropyl 3-[1-(4-phenylmethoxyphenyl)ethyl]imidazole-4-carboxylate
CID 177334658
[3-(oxiran-2-yl)oxetan-3-yl] 3-[(1R)-1-phenylethyl]imidazole-4-carboxylate
CID 155325742

Frequently Asked Questions

What is the IUPAC name of (2-morpholin-4-yl-3-oxobutyl) 3-[(1R)-1-phenylethyl]imidazole-4-carboxylate?
The IUPAC name of (2-morpholin-4-yl-3-oxobutyl) 3-[(1R)-1-phenylethyl]imidazole-4-carboxylate (CID 118246244) is (2-morpholin-4-yl-3-oxobutyl) 3-[(1R)-1-phenylethyl]imidazole-4-carboxylate.
What is the SMILES notation for (2-morpholin-4-yl-3-oxobutyl) 3-[(1R)-1-phenylethyl]imidazole-4-carboxylate?
The canonical SMILES for (2-morpholin-4-yl-3-oxobutyl) 3-[(1R)-1-phenylethyl]imidazole-4-carboxylate is CC(=O)C(COC(=O)c1cncn1[C@H](C)c1ccccc1)N1CCOCC1.
What is the InChIKey of (2-morpholin-4-yl-3-oxobutyl) 3-[(1R)-1-phenylethyl]imidazole-4-carboxylate?
The InChIKey is UILJEGYXJUHPLO-NYRJJRHWSA-N. The full InChI is InChI=1S/C20H25N3O4/c1-15(17-6-4-3-5-7-17)23-14-21-12-18(23)20(25)27-13-19(16(2)24)22-8-10-26-11-9-22/h3-7,12,14-15,19H,8-11,13H2,1-2H3/t15-,19?/m1/s1.
What are the key properties of (2-morpholin-4-yl-3-oxobutyl) 3-[(1R)-1-phenylethyl]imidazole-4-carboxylate?
(2-morpholin-4-yl-3-oxobutyl) 3-[(1R)-1-phenylethyl]imidazole-4-carboxylate has a molecular weight of 371.44 g/mol, XLogP of 1.94, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2-morpholin-4-yl-3-oxobutyl) 3-[(1R)-1-phenylethyl]imidazole-4-carboxylate is sourced from PubChem (CID 118246244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).