1-propyl-3-(2-pyrrolidin-1-ylphenyl)urea

C14H21N3O — CID 47107994

IUPAC1-propyl-3-(2-pyrrolidin-1-ylphenyl)urea
SMILESCCCNC(=O)Nc1ccccc1N1CCCC1
InChIInChI=1S/C14H21N3O/c1-2-9-15-14(18)16-12-7-3-4-8-13(12)17-10-5-6-11-17/h3-4,7-8H,2,5-6,9-11H2,1H3,(H2,15,16,18)
InChIKeyXSBYPEARWTZFKE-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.82
Rot. Bonds4

About 1-propyl-3-(2-pyrrolidin-1-ylphenyl)urea

1-propyl-3-(2-pyrrolidin-1-ylphenyl)urea (PubChem CID 47107994) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 1-propyl-3-(2-pyrrolidin-1-ylphenyl)urea.

Molecular Properties

Compound Name1-propyl-3-(2-pyrrolidin-1-ylphenyl)urea
PubChem CID47107994
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name1-propyl-3-(2-pyrrolidin-1-ylphenyl)urea
SMILESCCCNC(=O)Nc1ccccc1N1CCCC1
InChIInChI=1S/C14H21N3O/c1-2-9-15-14(18)16-12-7-3-4-8-13(12)17-10-5-6-11-17/h3-4,7-8H,2,5-6,9-11H2,1H3,(H2,15,16,18)
InChIKeyXSBYPEARWTZFKE-UHFFFAOYSA-N
XLogP2.82
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(azepan-1-yl)phenyl]-3-propylurea
CID 47201899
1-hexyl-3-(2-pyrrolidin-1-ylphenyl)urea
CID 52594776
1-(2-morpholin-4-ylphenyl)-3-propylurea
CID 110755134
1-(2,5-dipyrrolidin-1-ylphenyl)-3-propylurea
CID 110400361
1-(3-hydroxy-4-methylpentyl)-3-(2-pyrrolidin-1-ylphenyl)urea
CID 111473354
1-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-3-propylurea
CID 94154582
1-(5-chloro-2-piperidin-1-ylphenyl)-3-propylurea
CID 47103290
1-[2-(2-methoxyphenyl)ethyl]-3-(2-pyrrolidin-1-ylphenyl)urea
CID 47032789
2-methyl-N-(2-pyrrolidin-1-ylphenyl)pentanamide
CID 78792531
1-propyl-3-[2-(pyrrolidine-1-carbonyl)phenyl]urea
CID 47201043
N-(2-piperidin-1-ylphenyl)propanamide
CID 960826
1-[2-(azepan-1-yl)phenyl]-3-[4-(4-methylpiperidin-1-yl)butyl]urea
CID 60550959

Frequently Asked Questions

What is the IUPAC name of 1-propyl-3-(2-pyrrolidin-1-ylphenyl)urea?
The IUPAC name of 1-propyl-3-(2-pyrrolidin-1-ylphenyl)urea (CID 47107994) is 1-propyl-3-(2-pyrrolidin-1-ylphenyl)urea.
What is the SMILES notation for 1-propyl-3-(2-pyrrolidin-1-ylphenyl)urea?
The canonical SMILES for 1-propyl-3-(2-pyrrolidin-1-ylphenyl)urea is CCCNC(=O)Nc1ccccc1N1CCCC1.
What is the InChIKey of 1-propyl-3-(2-pyrrolidin-1-ylphenyl)urea?
The InChIKey is XSBYPEARWTZFKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-2-9-15-14(18)16-12-7-3-4-8-13(12)17-10-5-6-11-17/h3-4,7-8H,2,5-6,9-11H2,1H3,(H2,15,16,18).
What are the key properties of 1-propyl-3-(2-pyrrolidin-1-ylphenyl)urea?
1-propyl-3-(2-pyrrolidin-1-ylphenyl)urea has a molecular weight of 247.34 g/mol, XLogP of 2.82, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propyl-3-(2-pyrrolidin-1-ylphenyl)urea is sourced from PubChem (CID 47107994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).