1-(2,5-dipyrrolidin-1-ylphenyl)-3-propylurea

C18H28N4O — CID 110400361

IUPAC1-(2,5-dipyrrolidin-1-ylphenyl)-3-propylurea
SMILESCCCNC(=O)Nc1cc(N2CCCC2)ccc1N1CCCC1
InChIInChI=1S/C18H28N4O/c1-2-9-19-18(23)20-16-14-15(21-10-3-4-11-21)7-8-17(16)22-12-5-6-13-22/h7-8,14H,2-6,9-13H2,1H3,(H2,19,20,23)
InChIKeyFOGONTKYEONOOT-UHFFFAOYSA-N
MW316.45 g/mol
LogP3.42
Rot. Bonds5

About 1-(2,5-dipyrrolidin-1-ylphenyl)-3-propylurea

1-(2,5-dipyrrolidin-1-ylphenyl)-3-propylurea (PubChem CID 110400361) has the molecular formula C18H28N4O and a molecular weight of 316.45 g/mol. Its IUPAC name is 1-(2,5-dipyrrolidin-1-ylphenyl)-3-propylurea.

Molecular Properties

Compound Name1-(2,5-dipyrrolidin-1-ylphenyl)-3-propylurea
PubChem CID110400361
Molecular FormulaC18H28N4O
Molecular Weight316.45 g/mol
Exact Mass316.23
IUPAC Name1-(2,5-dipyrrolidin-1-ylphenyl)-3-propylurea
SMILESCCCNC(=O)Nc1cc(N2CCCC2)ccc1N1CCCC1
InChIInChI=1S/C18H28N4O/c1-2-9-19-18(23)20-16-14-15(21-10-3-4-11-21)7-8-17(16)22-12-5-6-13-22/h7-8,14H,2-6,9-13H2,1H3,(H2,19,20,23)
InChIKeyFOGONTKYEONOOT-UHFFFAOYSA-N
XLogP3.42
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.45
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

1-(5-chloro-2-piperidin-1-ylphenyl)-3-propylurea
CID 47103290
1-propyl-3-(2-pyrrolidin-1-ylphenyl)urea
CID 47107994
1-[2-(azepan-1-yl)phenyl]-3-propylurea
CID 47201899
1-(1,3-diethyl-2-oxo-6-piperidin-1-ylbenzimidazol-5-yl)-3-propylurea
CID 50792137
1-(5-chloro-2-morpholin-4-ylphenyl)-3-propylurea
CID 47103076
1-hexyl-3-(2-pyrrolidin-1-ylphenyl)urea
CID 52594776
1-(2-morpholin-4-ylphenyl)-3-propylurea
CID 110755134
N-propyl-N'-(4-pyrrolidin-1-ylphenyl)oxamide
CID 47226004
methyl 3-(4-ethoxybutylcarbamoylamino)-4-pyrrolidin-1-ylbenzoate
CID 51118623
1-(4-morpholin-4-ylphenyl)-3-propylurea
CID 2788991
N-(2,5-dipyrrolidin-1-ylphenyl)butane-1-sulfonamide
CID 110400368
N-propyl-2-(4-pyrrolidin-1-ylanilino)propanamide
CID 60676702

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dipyrrolidin-1-ylphenyl)-3-propylurea?
The IUPAC name of 1-(2,5-dipyrrolidin-1-ylphenyl)-3-propylurea (CID 110400361) is 1-(2,5-dipyrrolidin-1-ylphenyl)-3-propylurea.
What is the SMILES notation for 1-(2,5-dipyrrolidin-1-ylphenyl)-3-propylurea?
The canonical SMILES for 1-(2,5-dipyrrolidin-1-ylphenyl)-3-propylurea is CCCNC(=O)Nc1cc(N2CCCC2)ccc1N1CCCC1.
What is the InChIKey of 1-(2,5-dipyrrolidin-1-ylphenyl)-3-propylurea?
The InChIKey is FOGONTKYEONOOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O/c1-2-9-19-18(23)20-16-14-15(21-10-3-4-11-21)7-8-17(16)22-12-5-6-13-22/h7-8,14H,2-6,9-13H2,1H3,(H2,19,20,23).
What are the key properties of 1-(2,5-dipyrrolidin-1-ylphenyl)-3-propylurea?
1-(2,5-dipyrrolidin-1-ylphenyl)-3-propylurea has a molecular weight of 316.45 g/mol, XLogP of 3.42, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dipyrrolidin-1-ylphenyl)-3-propylurea is sourced from PubChem (CID 110400361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).