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

C24H32N4O2 — CID 111200226

IUPAC2-methyl-1-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)-3-(3-phenylpropyl)guanidine
SMILESC/N=C(\NCCCc1ccccc1)NCC(C(=O)N1CCOCC1)c1ccccc1
InChIInChI=1S/C24H32N4O2/c1-25-24(26-14-8-11-20-9-4-2-5-10-20)27-19-22(21-12-6-3-7-13-21)23(29)28-15-17-30-18-16-28/h2-7,9-10,12-13,22H,8,11,14-19H2,1H3,(H2,25,26,27)
InChIKeyZFMQZOAPVABKBY-UHFFFAOYSA-N
MW408.55 g/mol
LogP2.43
Rot. Bonds8

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

2-methyl-1-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)-3-(3-phenylpropyl)guanidine (PubChem CID 111200226) has the molecular formula C24H32N4O2 and a molecular weight of 408.55 g/mol. Its IUPAC name is 2-methyl-1-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)-3-(3-phenylpropyl)guanidine.

Molecular Properties

Compound Name2-methyl-1-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)-3-(3-phenylpropyl)guanidine
PubChem CID111200226
Molecular FormulaC24H32N4O2
Molecular Weight408.55 g/mol
Exact Mass408.25
IUPAC Name2-methyl-1-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)-3-(3-phenylpropyl)guanidine
SMILESC/N=C(\NCCCc1ccccc1)NCC(C(=O)N1CCOCC1)c1ccccc1
InChIInChI=1S/C24H32N4O2/c1-25-24(26-14-8-11-20-9-4-2-5-10-20)27-19-22(21-12-6-3-7-13-21)23(29)28-15-17-30-18-16-28/h2-7,9-10,12-13,22H,8,11,14-19H2,1H3,(H2,25,26,27)
InChIKeyZFMQZOAPVABKBY-UHFFFAOYSA-N
XLogP2.43
TPSA65.96 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.55
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-butyl-2-methyl-3-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)guanidine
CID 111150938
1-[2-(4-chlorophenyl)ethyl]-2-methyl-3-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)guanidine;hydroiodide
CID 111197411
2-methyl-1-(3-methylbutyl)-3-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)guanidine;hydroiodide
CID 110978954
1-(3-ethoxypropyl)-2-methyl-3-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)guanidine;hydroiodide
CID 111225080
2-methyl-1-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)-3-(2-phenylsulfanylethyl)guanidine
CID 111373825
1-[2-(2-chlorophenyl)ethyl]-2-methyl-3-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)guanidine;hydroiodide
CID 111882330
1-(2-ethoxyethyl)-2-methyl-3-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)guanidine
CID 111894609
2-methyl-1-[3-(4-methylpiperidin-1-yl)propyl]-3-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)guanidine
CID 111388216
1-[(5-ethylthiophen-2-yl)methyl]-2-methyl-3-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)guanidine
CID 111956759
1-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]-2-methyl-3-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)guanidine;hydroiodide
CID 111701656
1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-methyl-3-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)guanidine
CID 111949095
1-benzyl-1,2-dimethyl-3-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)guanidine;hydroiodide
CID 110951665

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)-3-(3-phenylpropyl)guanidine?
The IUPAC name of 2-methyl-1-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)-3-(3-phenylpropyl)guanidine (CID 111200226) is 2-methyl-1-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)-3-(3-phenylpropyl)guanidine.
What is the SMILES notation for 2-methyl-1-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)-3-(3-phenylpropyl)guanidine?
The canonical SMILES for 2-methyl-1-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)-3-(3-phenylpropyl)guanidine is C/N=C(\NCCCc1ccccc1)NCC(C(=O)N1CCOCC1)c1ccccc1.
What is the InChIKey of 2-methyl-1-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)-3-(3-phenylpropyl)guanidine?
The InChIKey is ZFMQZOAPVABKBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O2/c1-25-24(26-14-8-11-20-9-4-2-5-10-20)27-19-22(21-12-6-3-7-13-21)23(29)28-15-17-30-18-16-28/h2-7,9-10,12-13,22H,8,11,14-19H2,1H3,(H2,25,26,27).
What are the key properties of 2-methyl-1-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)-3-(3-phenylpropyl)guanidine?
2-methyl-1-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)-3-(3-phenylpropyl)guanidine has a molecular weight of 408.55 g/mol, XLogP of 2.43, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)-3-(3-phenylpropyl)guanidine is sourced from PubChem (CID 111200226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).