N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-3-phenylimidazole-4-carboxamide

C19H26N4O2 — CID 47013454

IUPACN-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-3-phenylimidazole-4-carboxamide
SMILESCC(C)CN1CCOC(CNC(=O)c2cncn2-c2ccccc2)C1
InChIInChI=1S/C19H26N4O2/c1-15(2)12-22-8-9-25-17(13-22)10-21-19(24)18-11-20-14-23(18)16-6-4-3-5-7-16/h3-7,11,14-15,17H,8-10,12-13H2,1-2H3,(H,21,24)
InChIKeyURJYQDIEZMDGCW-UHFFFAOYSA-N
MW342.44 g/mol
LogP1.96
Rot. Bonds6

About N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-3-phenylimidazole-4-carboxamide

N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-3-phenylimidazole-4-carboxamide (PubChem CID 47013454) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-3-phenylimidazole-4-carboxamide.

Molecular Properties

Compound NameN-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-3-phenylimidazole-4-carboxamide
PubChem CID47013454
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC NameN-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-3-phenylimidazole-4-carboxamide
SMILESCC(C)CN1CCOC(CNC(=O)c2cncn2-c2ccccc2)C1
InChIInChI=1S/C19H26N4O2/c1-15(2)12-22-8-9-25-17(13-22)10-21-19(24)18-11-20-14-23(18)16-6-4-3-5-7-16/h3-7,11,14-15,17H,8-10,12-13H2,1-2H3,(H,21,24)
InChIKeyURJYQDIEZMDGCW-UHFFFAOYSA-N
XLogP1.96
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(benzimidazol-1-yl)-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]benzamide
CID 24625208
N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]-2,2-diphenylacetamide
CID 7995361
N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]pyrazine-2-carboxamide
CID 30538165
2,6-difluoro-N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]benzamide
CID 39485652
N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-4-oxo-3-propan-2-ylphthalazine-1-carboxamide
CID 46684563
1-methyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]indole-3-carboxamide
CID 46576275
N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]-1H-indazole-3-carboxamide
CID 30538306
N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-2-phenylsulfanylacetamide
CID 78812434
N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]thiophene-2-carboxamide
CID 35362501
3-benzyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-4-oxophthalazine-1-carboxamide
CID 167831678
N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]-4-oxo-3H-phthalazine-1-carboxamide
CID 94014996
4-methyl-N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]-2-phenyl-1,3-thiazole-5-carboxamide
CID 30469024

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-3-phenylimidazole-4-carboxamide?
The IUPAC name of N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-3-phenylimidazole-4-carboxamide (CID 47013454) is N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-3-phenylimidazole-4-carboxamide.
What is the SMILES notation for N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-3-phenylimidazole-4-carboxamide?
The canonical SMILES for N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-3-phenylimidazole-4-carboxamide is CC(C)CN1CCOC(CNC(=O)c2cncn2-c2ccccc2)C1.
What is the InChIKey of N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-3-phenylimidazole-4-carboxamide?
The InChIKey is URJYQDIEZMDGCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-15(2)12-22-8-9-25-17(13-22)10-21-19(24)18-11-20-14-23(18)16-6-4-3-5-7-16/h3-7,11,14-15,17H,8-10,12-13H2,1-2H3,(H,21,24).
What are the key properties of N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-3-phenylimidazole-4-carboxamide?
N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-3-phenylimidazole-4-carboxamide has a molecular weight of 342.44 g/mol, XLogP of 1.96, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-3-phenylimidazole-4-carboxamide is sourced from PubChem (CID 47013454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).