2-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methyl]-1-(3-propan-2-ylphenyl)guanidine

C24H32N4O2 — CID 111083753

IUPAC2-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methyl]-1-(3-propan-2-ylphenyl)guanidine
SMILESCC1CN(C(=O)c2ccc(C/N=C(\N)Nc3cccc(C(C)C)c3)cc2)CC(C)O1
InChIInChI=1S/C24H32N4O2/c1-16(2)21-6-5-7-22(12-21)27-24(25)26-13-19-8-10-20(11-9-19)23(29)28-14-17(3)30-18(4)15-28/h5-12,16-18H,13-15H2,1-4H3,(H3,25,26,27)
InChIKeyBRAKLWDEPMIIMQ-UHFFFAOYSA-N
MW408.55 g/mol
LogP3.99
Rot. Bonds5

About 2-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methyl]-1-(3-propan-2-ylphenyl)guanidine

2-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methyl]-1-(3-propan-2-ylphenyl)guanidine (PubChem CID 111083753) has the molecular formula C24H32N4O2 and a molecular weight of 408.55 g/mol. Its IUPAC name is 2-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methyl]-1-(3-propan-2-ylphenyl)guanidine.

Molecular Properties

Compound Name2-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methyl]-1-(3-propan-2-ylphenyl)guanidine
PubChem CID111083753
Molecular FormulaC24H32N4O2
Molecular Weight408.55 g/mol
Exact Mass408.25
IUPAC Name2-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methyl]-1-(3-propan-2-ylphenyl)guanidine
SMILESCC1CN(C(=O)c2ccc(C/N=C(\N)Nc3cccc(C(C)C)c3)cc2)CC(C)O1
InChIInChI=1S/C24H32N4O2/c1-16(2)21-6-5-7-22(12-21)27-24(25)26-13-19-8-10-20(11-9-19)23(29)28-14-17(3)30-18(4)15-28/h5-12,16-18H,13-15H2,1-4H3,(H3,25,26,27)
InChIKeyBRAKLWDEPMIIMQ-UHFFFAOYSA-N
XLogP3.99
TPSA79.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.55
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methyl]-1-(4-methylphenyl)guanidine;hydroiodide
CID 111083730
2-[(4-methylphenyl)methyl]-1-(3-propan-2-ylphenyl)guanidine;hydroiodide
CID 111025993
1-butyl-2-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methyl]guanidine
CID 111083701
2-[(4-morpholin-4-ylphenyl)methyl]-1-(3-propan-2-ylphenyl)guanidine;hydroiodide
CID 111063127
4-[[[amino-(3-propan-2-ylanilino)methylidene]amino]methyl]-N-butylbenzamide;hydroiodide
CID 111070823
2-[[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]-1-(3-propan-2-ylphenyl)guanidine;hydroiodide
CID 110029129
2-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methyl]-1,1-diethylguanidine
CID 111083721
2-[[4-(2-oxopiperidin-1-yl)phenyl]methyl]-1-(3-propan-2-ylphenyl)guanidine;hydroiodide
CID 111080480
2-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methyl]-1,1,3,3-tetramethylguanidine
CID 111083743
2-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-1-phenylguanidine;hydroiodide
CID 110893240
2-[(3-methylphenyl)methyl]-1-(3-propan-2-ylphenyl)guanidine;hydroiodide
CID 111046293
2-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]-1-(3-propan-2-ylphenyl)guanidine
CID 111048778

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methyl]-1-(3-propan-2-ylphenyl)guanidine?
The IUPAC name of 2-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methyl]-1-(3-propan-2-ylphenyl)guanidine (CID 111083753) is 2-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methyl]-1-(3-propan-2-ylphenyl)guanidine.
What is the SMILES notation for 2-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methyl]-1-(3-propan-2-ylphenyl)guanidine?
The canonical SMILES for 2-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methyl]-1-(3-propan-2-ylphenyl)guanidine is CC1CN(C(=O)c2ccc(C/N=C(\N)Nc3cccc(C(C)C)c3)cc2)CC(C)O1.
What is the InChIKey of 2-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methyl]-1-(3-propan-2-ylphenyl)guanidine?
The InChIKey is BRAKLWDEPMIIMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O2/c1-16(2)21-6-5-7-22(12-21)27-24(25)26-13-19-8-10-20(11-9-19)23(29)28-14-17(3)30-18(4)15-28/h5-12,16-18H,13-15H2,1-4H3,(H3,25,26,27).
What are the key properties of 2-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methyl]-1-(3-propan-2-ylphenyl)guanidine?
2-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methyl]-1-(3-propan-2-ylphenyl)guanidine has a molecular weight of 408.55 g/mol, XLogP of 3.99, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methyl]-1-(3-propan-2-ylphenyl)guanidine is sourced from PubChem (CID 111083753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).