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

C18H28N4O2 — CID 111099902

IUPAC1,1,3,3-tetramethyl-2-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)guanidine
SMILESCN(C)C(=NCC(C(=O)N1CCOCC1)c1ccccc1)N(C)C
InChIInChI=1S/C18H28N4O2/c1-20(2)18(21(3)4)19-14-16(15-8-6-5-7-9-15)17(23)22-10-12-24-13-11-22/h5-9,16H,10-14H2,1-4H3
InChIKeyYLSRMPOMDWRUAW-UHFFFAOYSA-N
MW332.45 g/mol
LogP1.11
Rot. Bonds4

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

1,1,3,3-tetramethyl-2-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)guanidine (PubChem CID 111099902) has the molecular formula C18H28N4O2 and a molecular weight of 332.45 g/mol. Its IUPAC name is 1,1,3,3-tetramethyl-2-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)guanidine.

Molecular Properties

Compound Name1,1,3,3-tetramethyl-2-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)guanidine
PubChem CID111099902
Molecular FormulaC18H28N4O2
Molecular Weight332.45 g/mol
Exact Mass332.22
IUPAC Name1,1,3,3-tetramethyl-2-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)guanidine
SMILESCN(C)C(=NCC(C(=O)N1CCOCC1)c1ccccc1)N(C)C
InChIInChI=1S/C18H28N4O2/c1-20(2)18(21(3)4)19-14-16(15-8-6-5-7-9-15)17(23)22-10-12-24-13-11-22/h5-9,16H,10-14H2,1-4H3
InChIKeyYLSRMPOMDWRUAW-UHFFFAOYSA-N
XLogP1.11
TPSA48.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 51.11
H-Bond Donors ≤ 50
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

1,1-diethyl-2-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)guanidine;hydroiodide
CID 111099883
(2S)-1-morpholin-4-yl-2-phenylbutan-1-one
CID 670056
3-methyl-N'-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)piperidine-1-carboximidamide;hydroiodide
CID 111099903
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
1-(3,4-dimethylphenyl)-2-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)guanidine;hydroiodide
CID 111099881
N-ethyl-2,2,3,3-tetramethyl-N'-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)azetidine-1-carboximidamide;hydroiodide
CID 109452810
2-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)-1-(3-propan-2-ylphenyl)guanidine;hydroiodide
CID 111099907
2-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)-1-(4-propan-2-yloxyphenyl)guanidine
CID 111099914
3-amino-1-(1,4-oxazepan-4-yl)-2-phenylpropan-1-one
CID 55139401
(5S)-6-morpholin-4-yl-6-oxo-5-phenylhexanamide
CID 67937720
2-chloro-1-morpholin-4-yl-4-phenylpentan-1-one
CID 55047533

Frequently Asked Questions

What is the IUPAC name of 1,1,3,3-tetramethyl-2-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)guanidine?
The IUPAC name of 1,1,3,3-tetramethyl-2-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)guanidine (CID 111099902) is 1,1,3,3-tetramethyl-2-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)guanidine.
What is the SMILES notation for 1,1,3,3-tetramethyl-2-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)guanidine?
The canonical SMILES for 1,1,3,3-tetramethyl-2-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)guanidine is CN(C)C(=NCC(C(=O)N1CCOCC1)c1ccccc1)N(C)C.
What is the InChIKey of 1,1,3,3-tetramethyl-2-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)guanidine?
The InChIKey is YLSRMPOMDWRUAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O2/c1-20(2)18(21(3)4)19-14-16(15-8-6-5-7-9-15)17(23)22-10-12-24-13-11-22/h5-9,16H,10-14H2,1-4H3.
What are the key properties of 1,1,3,3-tetramethyl-2-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)guanidine?
1,1,3,3-tetramethyl-2-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)guanidine has a molecular weight of 332.45 g/mol, XLogP of 1.11, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,3,3-tetramethyl-2-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)guanidine is sourced from PubChem (CID 111099902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).