1-phenyl-3-[4-(3-pyrrolidin-1-ylpropyl)phenyl]urea

C20H25N3O — CID 110314409

IUPAC1-phenyl-3-[4-(3-pyrrolidin-1-ylpropyl)phenyl]urea
SMILESO=C(Nc1ccccc1)Nc1ccc(CCCN2CCCC2)cc1
InChIInChI=1S/C20H25N3O/c24-20(21-18-8-2-1-3-9-18)22-19-12-10-17(11-13-19)7-6-16-23-14-4-5-15-23/h1-3,8-13H,4-7,14-16H2,(H2,21,22,24)
InChIKeyHVGFJFWRZPMONI-UHFFFAOYSA-N
MW323.44 g/mol
LogP4.36
Rot. Bonds6

About 1-phenyl-3-[4-(3-pyrrolidin-1-ylpropyl)phenyl]urea

1-phenyl-3-[4-(3-pyrrolidin-1-ylpropyl)phenyl]urea (PubChem CID 110314409) has the molecular formula C20H25N3O and a molecular weight of 323.44 g/mol. Its IUPAC name is 1-phenyl-3-[4-(3-pyrrolidin-1-ylpropyl)phenyl]urea.

Molecular Properties

Compound Name1-phenyl-3-[4-(3-pyrrolidin-1-ylpropyl)phenyl]urea
PubChem CID110314409
Molecular FormulaC20H25N3O
Molecular Weight323.44 g/mol
Exact Mass323.20
IUPAC Name1-phenyl-3-[4-(3-pyrrolidin-1-ylpropyl)phenyl]urea
SMILESO=C(Nc1ccccc1)Nc1ccc(CCCN2CCCC2)cc1
InChIInChI=1S/C20H25N3O/c24-20(21-18-8-2-1-3-9-18)22-19-12-10-17(11-13-19)7-6-16-23-14-4-5-15-23/h1-3,8-13H,4-7,14-16H2,(H2,21,22,24)
InChIKeyHVGFJFWRZPMONI-UHFFFAOYSA-N
XLogP4.36
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(oxan-4-yl)-3-[4-(3-pyrrolidin-1-ylpropyl)phenyl]urea
CID 110633807
1,3-bis[4-(pyrrolidin-1-ylmethyl)phenyl]urea
CID 17464843
5-oxo-1-phenyl-N-[4-(3-pyrrolidin-1-ylpropyl)phenyl]pyrrolidine-2-carboxamide
CID 110633794
N-[4-(2-pyrrolidin-1-ylethyl)phenyl]acetamide
CID 60575256
2,2-diphenyl-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]acetamide
CID 60575227
2-(4-methoxyphenyl)-N-[4-(3-pyrrolidin-1-ylpropyl)phenyl]acetamide
CID 110314406
2-amino-3-phenyl-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]propanamide
CID 119862104
N-(4-chlorophenyl)-4-(3-phenylpropyl)piperazine-1-carboxamide
CID 113110115
1-(11-phenylundecyl)piperidine;hydrochloride
CID 173446957
methyl 4-(3-pyrrolidin-1-ylpropyl)benzoate
CID 10658147
1-[4-[2-(4-phenylpiperazin-1-yl)ethyl]phenyl]-3-pyridin-4-ylurea
CID 66561333
6-phenylhexan-1-ol;1-(6-phenylhexyl)piperidine
CID 23016534

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-3-[4-(3-pyrrolidin-1-ylpropyl)phenyl]urea?
The IUPAC name of 1-phenyl-3-[4-(3-pyrrolidin-1-ylpropyl)phenyl]urea (CID 110314409) is 1-phenyl-3-[4-(3-pyrrolidin-1-ylpropyl)phenyl]urea.
What is the SMILES notation for 1-phenyl-3-[4-(3-pyrrolidin-1-ylpropyl)phenyl]urea?
The canonical SMILES for 1-phenyl-3-[4-(3-pyrrolidin-1-ylpropyl)phenyl]urea is O=C(Nc1ccccc1)Nc1ccc(CCCN2CCCC2)cc1.
What is the InChIKey of 1-phenyl-3-[4-(3-pyrrolidin-1-ylpropyl)phenyl]urea?
The InChIKey is HVGFJFWRZPMONI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O/c24-20(21-18-8-2-1-3-9-18)22-19-12-10-17(11-13-19)7-6-16-23-14-4-5-15-23/h1-3,8-13H,4-7,14-16H2,(H2,21,22,24).
What are the key properties of 1-phenyl-3-[4-(3-pyrrolidin-1-ylpropyl)phenyl]urea?
1-phenyl-3-[4-(3-pyrrolidin-1-ylpropyl)phenyl]urea has a molecular weight of 323.44 g/mol, XLogP of 4.36, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3-[4-(3-pyrrolidin-1-ylpropyl)phenyl]urea is sourced from PubChem (CID 110314409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).