2-[2-(furan-2-yl)ethyl]-1-[1-(oxolan-3-yloxy)propan-2-yl]-3-(1,2,3,4-tetrahydronaphthalen-2-yl)guanidine

C24H33N3O3 — CID 110058320

IUPAC2-[2-(furan-2-yl)ethyl]-1-[1-(oxolan-3-yloxy)propan-2-yl]-3-(1,2,3,4-tetrahydronaphthalen-2-yl)guanidine
SMILESCC(COC1CCOC1)N/C(=N\CCc1ccco1)NC1CCc2ccccc2C1
InChIInChI=1S/C24H33N3O3/c1-18(16-30-23-11-14-28-17-23)26-24(25-12-10-22-7-4-13-29-22)27-21-9-8-19-5-2-3-6-20(19)15-21/h2-7,13,18,21,23H,8-12,14-17H2,1H3,(H2,25,26,27)
InChIKeyBCGHRPGUPFUIQX-UHFFFAOYSA-N
MW411.55 g/mol
LogP3.11
Rot. Bonds8

About 2-[2-(furan-2-yl)ethyl]-1-[1-(oxolan-3-yloxy)propan-2-yl]-3-(1,2,3,4-tetrahydronaphthalen-2-yl)guanidine

2-[2-(furan-2-yl)ethyl]-1-[1-(oxolan-3-yloxy)propan-2-yl]-3-(1,2,3,4-tetrahydronaphthalen-2-yl)guanidine (PubChem CID 110058320) has the molecular formula C24H33N3O3 and a molecular weight of 411.55 g/mol. Its IUPAC name is 2-[2-(furan-2-yl)ethyl]-1-[1-(oxolan-3-yloxy)propan-2-yl]-3-(1,2,3,4-tetrahydronaphthalen-2-yl)guanidine.

Molecular Properties

Compound Name2-[2-(furan-2-yl)ethyl]-1-[1-(oxolan-3-yloxy)propan-2-yl]-3-(1,2,3,4-tetrahydronaphthalen-2-yl)guanidine
PubChem CID110058320
Molecular FormulaC24H33N3O3
Molecular Weight411.55 g/mol
Exact Mass411.25
IUPAC Name2-[2-(furan-2-yl)ethyl]-1-[1-(oxolan-3-yloxy)propan-2-yl]-3-(1,2,3,4-tetrahydronaphthalen-2-yl)guanidine
SMILESCC(COC1CCOC1)N/C(=N\CCc1ccco1)NC1CCc2ccccc2C1
InChIInChI=1S/C24H33N3O3/c1-18(16-30-23-11-14-28-17-23)26-24(25-12-10-22-7-4-13-29-22)27-21-9-8-19-5-2-3-6-20(19)15-21/h2-7,13,18,21,23H,8-12,14-17H2,1H3,(H2,25,26,27)
InChIKeyBCGHRPGUPFUIQX-UHFFFAOYSA-N
XLogP3.11
TPSA68.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.55
LogP ≤ 53.11
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'}

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Related Compounds

1-ethyl-2-[2-(furan-2-yl)ethyl]-3-[1-(oxolan-3-yloxy)propan-2-yl]guanidine;hydroiodide
CID 110058293
N,N-dimethyl-2-[[[1-(oxolan-3-yloxy)propan-2-ylamino]-(1,2,3,4-tetrahydronaphthalen-2-ylamino)methylidene]amino]acetamide
CID 110044727
2-[2-(furan-2-yl)ethyl]-1-(1-propan-2-ylpiperidin-4-yl)-3-(1,2,3,4-tetrahydronaphthalen-2-yl)guanidine;hydroiodide
CID 111907082
2-[2-(furan-2-yl)ethyl]-1-[1-(3-methoxypropyl)piperidin-4-yl]-3-(1,2,3,4-tetrahydronaphthalen-2-yl)guanidine
CID 110055516
4-[[N'-[2-(furan-2-yl)ethyl]-N-(1,2,3,4-tetrahydronaphthalen-2-yl)carbamimidoyl]amino]piperidine-1-carboxamide
CID 110055034
2-[2-(furan-2-yl)ethyl]-1-(2-pyridin-2-ylethyl)-3-(1,2,3,4-tetrahydronaphthalen-2-yl)guanidine;hydroiodide
CID 111357385
1-(1-benzylpiperidin-4-yl)-2-[2-(furan-2-yl)ethyl]-3-(1-methoxypropan-2-yl)guanidine;hydroiodide
CID 111236250
1-(furan-2-ylmethyl)-2-methyl-3-(1,2,3,4-tetrahydronaphthalen-2-yl)guanidine;hydroiodide
CID 119132815
N-[(2R)-1-[(3S)-oxolan-3-yl]oxypropan-2-yl]-1,2,4,5-tetrahydro-3-benzazepine-3-carboxamide
CID 129381643
1-cyclohexyl-3-[2-(furan-2-yl)ethyl]-2-[3-(oxolan-3-yloxy)propyl]guanidine
CID 110058982
1-[2-(furan-2-yl)ethyl]-2-(2-methylpropyl)-3-[3-(oxolan-3-yloxy)propyl]guanidine
CID 110058984
1-[2-(furan-2-yl)ethyl]-3-[3-(oxolan-3-yloxy)propyl]-2-propylguanidine;hydroiodide
CID 110058995

Frequently Asked Questions

What is the IUPAC name of 2-[2-(furan-2-yl)ethyl]-1-[1-(oxolan-3-yloxy)propan-2-yl]-3-(1,2,3,4-tetrahydronaphthalen-2-yl)guanidine?
The IUPAC name of 2-[2-(furan-2-yl)ethyl]-1-[1-(oxolan-3-yloxy)propan-2-yl]-3-(1,2,3,4-tetrahydronaphthalen-2-yl)guanidine (CID 110058320) is 2-[2-(furan-2-yl)ethyl]-1-[1-(oxolan-3-yloxy)propan-2-yl]-3-(1,2,3,4-tetrahydronaphthalen-2-yl)guanidine.
What is the SMILES notation for 2-[2-(furan-2-yl)ethyl]-1-[1-(oxolan-3-yloxy)propan-2-yl]-3-(1,2,3,4-tetrahydronaphthalen-2-yl)guanidine?
The canonical SMILES for 2-[2-(furan-2-yl)ethyl]-1-[1-(oxolan-3-yloxy)propan-2-yl]-3-(1,2,3,4-tetrahydronaphthalen-2-yl)guanidine is CC(COC1CCOC1)N/C(=N\CCc1ccco1)NC1CCc2ccccc2C1.
What is the InChIKey of 2-[2-(furan-2-yl)ethyl]-1-[1-(oxolan-3-yloxy)propan-2-yl]-3-(1,2,3,4-tetrahydronaphthalen-2-yl)guanidine?
The InChIKey is BCGHRPGUPFUIQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O3/c1-18(16-30-23-11-14-28-17-23)26-24(25-12-10-22-7-4-13-29-22)27-21-9-8-19-5-2-3-6-20(19)15-21/h2-7,13,18,21,23H,8-12,14-17H2,1H3,(H2,25,26,27).
What are the key properties of 2-[2-(furan-2-yl)ethyl]-1-[1-(oxolan-3-yloxy)propan-2-yl]-3-(1,2,3,4-tetrahydronaphthalen-2-yl)guanidine?
2-[2-(furan-2-yl)ethyl]-1-[1-(oxolan-3-yloxy)propan-2-yl]-3-(1,2,3,4-tetrahydronaphthalen-2-yl)guanidine has a molecular weight of 411.55 g/mol, XLogP of 3.11, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(furan-2-yl)ethyl]-1-[1-(oxolan-3-yloxy)propan-2-yl]-3-(1,2,3,4-tetrahydronaphthalen-2-yl)guanidine is sourced from PubChem (CID 110058320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).