2-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)-1-(4-propan-2-yloxyphenyl)guanidine

C23H30N4O3 — CID 111099914

IUPAC2-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)-1-(4-propan-2-yloxyphenyl)guanidine
SMILESCC(C)Oc1ccc(N/C(N)=N/CC(C(=O)N2CCOCC2)c2ccccc2)cc1
InChIInChI=1S/C23H30N4O3/c1-17(2)30-20-10-8-19(9-11-20)26-23(24)25-16-21(18-6-4-3-5-7-18)22(28)27-12-14-29-15-13-27/h3-11,17,21H,12-16H2,1-2H3,(H3,24,25,26)
InChIKeyZKSQODBRURVUIL-UHFFFAOYSA-N
MW410.52 g/mol
LogP2.84
Rot. Bonds7

About 2-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)-1-(4-propan-2-yloxyphenyl)guanidine

2-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)-1-(4-propan-2-yloxyphenyl)guanidine (PubChem CID 111099914) has the molecular formula C23H30N4O3 and a molecular weight of 410.52 g/mol. Its IUPAC name is 2-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)-1-(4-propan-2-yloxyphenyl)guanidine.

Molecular Properties

Compound Name2-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)-1-(4-propan-2-yloxyphenyl)guanidine
PubChem CID111099914
Molecular FormulaC23H30N4O3
Molecular Weight410.52 g/mol
Exact Mass410.23
IUPAC Name2-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)-1-(4-propan-2-yloxyphenyl)guanidine
SMILESCC(C)Oc1ccc(N/C(N)=N/CC(C(=O)N2CCOCC2)c2ccccc2)cc1
InChIInChI=1S/C23H30N4O3/c1-17(2)30-20-10-8-19(9-11-20)26-23(24)25-16-21(18-6-4-3-5-7-18)22(28)27-12-14-29-15-13-27/h3-11,17,21H,12-16H2,1-2H3,(H3,24,25,26)
InChIKeyZKSQODBRURVUIL-UHFFFAOYSA-N
XLogP2.84
TPSA89.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.52
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)-1-(4-propan-2-yloxyphenyl)guanidine 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

1-(3,4-dimethylphenyl)-2-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)guanidine;hydroiodide
CID 111099881
2-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)-1-(3-propan-2-ylphenyl)guanidine;hydroiodide
CID 111099907
1-(3,5-dimethylphenyl)-2-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)guanidine;hydroiodide
CID 111099877
1-[(2S)-1-methoxypropan-2-yl]-2-[(2S)-3-morpholin-4-yl-3-oxo-2-phenylpropyl]guanidine
CID 95761569
2-(2-phenyl-2-pyrrolidin-1-ylethyl)-1-(4-propan-2-yloxyphenyl)guanidine
CID 111029804
2-(2-morpholin-4-ylethyl)-1-(4-propan-2-yloxyphenyl)guanidine
CID 111024489
1,1-diethyl-2-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)guanidine;hydroiodide
CID 111099883
1,1,3,3-tetramethyl-2-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)guanidine
CID 111099902
2-[(4-phenyloxan-4-yl)methyl]-1-(4-propan-2-yloxyphenyl)guanidine
CID 111068034
2-(2-oxo-2-pyrrolidin-1-ylethyl)-1-(4-propan-2-yloxyphenyl)guanidine
CID 111040300
3-methyl-N'-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)piperidine-1-carboximidamide;hydroiodide
CID 111099903
2-(2-methyl-3-morpholin-4-ylpropyl)-1-phenylguanidine
CID 111439306

Frequently Asked Questions

What is the IUPAC name of 2-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)-1-(4-propan-2-yloxyphenyl)guanidine?
The IUPAC name of 2-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)-1-(4-propan-2-yloxyphenyl)guanidine (CID 111099914) is 2-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)-1-(4-propan-2-yloxyphenyl)guanidine.
What is the SMILES notation for 2-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)-1-(4-propan-2-yloxyphenyl)guanidine?
The canonical SMILES for 2-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)-1-(4-propan-2-yloxyphenyl)guanidine is CC(C)Oc1ccc(N/C(N)=N/CC(C(=O)N2CCOCC2)c2ccccc2)cc1.
What is the InChIKey of 2-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)-1-(4-propan-2-yloxyphenyl)guanidine?
The InChIKey is ZKSQODBRURVUIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O3/c1-17(2)30-20-10-8-19(9-11-20)26-23(24)25-16-21(18-6-4-3-5-7-18)22(28)27-12-14-29-15-13-27/h3-11,17,21H,12-16H2,1-2H3,(H3,24,25,26).
What are the key properties of 2-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)-1-(4-propan-2-yloxyphenyl)guanidine?
2-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)-1-(4-propan-2-yloxyphenyl)guanidine has a molecular weight of 410.52 g/mol, XLogP of 2.84, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)-1-(4-propan-2-yloxyphenyl)guanidine is sourced from PubChem (CID 111099914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).