2-methyl-1-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3-[(2-phenyloxolan-3-yl)methyl]guanidine

C24H30N4O2 — CID 111620838

IUPAC2-methyl-1-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3-[(2-phenyloxolan-3-yl)methyl]guanidine
SMILESC/N=C(/NCc1ccc(N2CCCC2=O)cc1)NCC1CCOC1c1ccccc1
InChIInChI=1S/C24H30N4O2/c1-25-24(27-17-20-13-15-30-23(20)19-6-3-2-4-7-19)26-16-18-9-11-21(12-10-18)28-14-5-8-22(28)29/h2-4,6-7,9-12,20,23H,5,8,13-17H2,1H3,(H2,25,26,27)
InChIKeyBTVHMCWUVWYWQZ-UHFFFAOYSA-N
MW406.53 g/mol
LogP3.26
Rot. Bonds6

About 2-methyl-1-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3-[(2-phenyloxolan-3-yl)methyl]guanidine

2-methyl-1-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3-[(2-phenyloxolan-3-yl)methyl]guanidine (PubChem CID 111620838) has the molecular formula C24H30N4O2 and a molecular weight of 406.53 g/mol. Its IUPAC name is 2-methyl-1-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3-[(2-phenyloxolan-3-yl)methyl]guanidine.

Molecular Properties

Compound Name2-methyl-1-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3-[(2-phenyloxolan-3-yl)methyl]guanidine
PubChem CID111620838
Molecular FormulaC24H30N4O2
Molecular Weight406.53 g/mol
Exact Mass406.24
IUPAC Name2-methyl-1-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3-[(2-phenyloxolan-3-yl)methyl]guanidine
SMILESC/N=C(/NCc1ccc(N2CCCC2=O)cc1)NCC1CCOC1c1ccccc1
InChIInChI=1S/C24H30N4O2/c1-25-24(27-17-20-13-15-30-23(20)19-6-3-2-4-7-19)26-16-18-9-11-21(12-10-18)28-14-5-8-22(28)29/h2-4,6-7,9-12,20,23H,5,8,13-17H2,1H3,(H2,25,26,27)
InChIKeyBTVHMCWUVWYWQZ-UHFFFAOYSA-N
XLogP3.26
TPSA65.96 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.53
LogP ≤ 53.26
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-methyl-1-[(1-methylpiperidin-4-yl)methyl]-3-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]guanidine;hydroiodide
CID 111414021
1-ethyl-2-methyl-3-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]guanidine
CID 111413084
1-[(1-ethylpiperidin-3-yl)methyl]-2-methyl-3-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]guanidine
CID 111413520
2-methyl-1-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3-(2-phenylpropyl)guanidine
CID 111342361
2-methyl-1-(naphthalen-1-ylmethyl)-3-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]guanidine;hydroiodide
CID 111413883
tert-butyl 4-[[[N'-methyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]carbamimidoyl]amino]methyl]piperidine-1-carboxylate
CID 111414196
2-methyl-1-[(1-methylbenzimidazol-2-yl)methyl]-3-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]guanidine;hydroiodide
CID 111413849
1-[(4-cyanophenyl)methyl]-2-methyl-3-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]guanidine
CID 111412908
2-methyl-1-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3-prop-2-enylguanidine
CID 110982059
2-methyl-1-[[4-(methylsulfonylmethyl)phenyl]methyl]-3-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]guanidine;hydroiodide
CID 111412963
1-[(2-chlorophenyl)methyl]-2-methyl-3-[[4-(2-oxopiperidin-1-yl)phenyl]methyl]guanidine;hydroiodide
CID 111175270
1-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-2-methyl-3-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]guanidine;hydroiodide
CID 111789710

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3-[(2-phenyloxolan-3-yl)methyl]guanidine?
The IUPAC name of 2-methyl-1-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3-[(2-phenyloxolan-3-yl)methyl]guanidine (CID 111620838) is 2-methyl-1-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3-[(2-phenyloxolan-3-yl)methyl]guanidine.
What is the SMILES notation for 2-methyl-1-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3-[(2-phenyloxolan-3-yl)methyl]guanidine?
The canonical SMILES for 2-methyl-1-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3-[(2-phenyloxolan-3-yl)methyl]guanidine is C/N=C(/NCc1ccc(N2CCCC2=O)cc1)NCC1CCOC1c1ccccc1.
What is the InChIKey of 2-methyl-1-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3-[(2-phenyloxolan-3-yl)methyl]guanidine?
The InChIKey is BTVHMCWUVWYWQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O2/c1-25-24(27-17-20-13-15-30-23(20)19-6-3-2-4-7-19)26-16-18-9-11-21(12-10-18)28-14-5-8-22(28)29/h2-4,6-7,9-12,20,23H,5,8,13-17H2,1H3,(H2,25,26,27).
What are the key properties of 2-methyl-1-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3-[(2-phenyloxolan-3-yl)methyl]guanidine?
2-methyl-1-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3-[(2-phenyloxolan-3-yl)methyl]guanidine has a molecular weight of 406.53 g/mol, XLogP of 3.26, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3-[(2-phenyloxolan-3-yl)methyl]guanidine is sourced from PubChem (CID 111620838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).