1-propyl-3-[2-(pyrrolidine-1-carbonyl)phenyl]urea

C15H21N3O2 — CID 47201043

IUPAC1-propyl-3-[2-(pyrrolidine-1-carbonyl)phenyl]urea
SMILESCCCNC(=O)Nc1ccccc1C(=O)N1CCCC1
InChIInChI=1S/C15H21N3O2/c1-2-9-16-15(20)17-13-8-4-3-7-12(13)14(19)18-10-5-6-11-18/h3-4,7-8H,2,5-6,9-11H2,1H3,(H2,16,17,20)
InChIKeyJIDVPOUNBZVBKM-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.45
Rot. Bonds4

About 1-propyl-3-[2-(pyrrolidine-1-carbonyl)phenyl]urea

1-propyl-3-[2-(pyrrolidine-1-carbonyl)phenyl]urea (PubChem CID 47201043) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 1-propyl-3-[2-(pyrrolidine-1-carbonyl)phenyl]urea.

Molecular Properties

Compound Name1-propyl-3-[2-(pyrrolidine-1-carbonyl)phenyl]urea
PubChem CID47201043
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name1-propyl-3-[2-(pyrrolidine-1-carbonyl)phenyl]urea
SMILESCCCNC(=O)Nc1ccccc1C(=O)N1CCCC1
InChIInChI=1S/C15H21N3O2/c1-2-9-16-15(20)17-13-8-4-3-7-12(13)14(19)18-10-5-6-11-18/h3-4,7-8H,2,5-6,9-11H2,1H3,(H2,16,17,20)
InChIKeyJIDVPOUNBZVBKM-UHFFFAOYSA-N
XLogP2.45
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(pyrrolidine-1-carbonyl)phenyl]pentanamide
CID 30336776
1-propyl-3-(2-pyrrolidin-1-ylphenyl)urea
CID 47107994
1-[2-(azepan-1-yl)phenyl]-3-propylurea
CID 47201899
N-[2-(piperidine-1-carbonyl)phenyl]hexanamide
CID 4953779
methyl N-[2-(pyrrolidine-1-carbonyl)phenyl]carbamate
CID 551078
N-[2-(azepane-1-carbonyl)phenyl]octanamide
CID 4958626
[2-(propylamino)phenyl]-thiomorpholin-4-ylmethanone
CID 62165925
1-N,4-N-bis[2-(azepane-1-carbonyl)phenyl]benzene-1,4-dicarboxamide
CID 4938376
4-methyl-4-[[2-(pyrrolidine-1-carbonyl)phenyl]carbamoylamino]pentanoic acid
CID 122074814
2-methyl-N-[3-oxo-3-[2-(piperidine-1-carbonyl)anilino]propyl]cyclopropane-1-carboxamide
CID 55669259
2-amino-N-[2-(piperidine-1-carbonyl)phenyl]acetamide;hydrochloride
CID 119268834
2,2-diphenyl-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 1272938

Frequently Asked Questions

What is the IUPAC name of 1-propyl-3-[2-(pyrrolidine-1-carbonyl)phenyl]urea?
The IUPAC name of 1-propyl-3-[2-(pyrrolidine-1-carbonyl)phenyl]urea (CID 47201043) is 1-propyl-3-[2-(pyrrolidine-1-carbonyl)phenyl]urea.
What is the SMILES notation for 1-propyl-3-[2-(pyrrolidine-1-carbonyl)phenyl]urea?
The canonical SMILES for 1-propyl-3-[2-(pyrrolidine-1-carbonyl)phenyl]urea is CCCNC(=O)Nc1ccccc1C(=O)N1CCCC1.
What is the InChIKey of 1-propyl-3-[2-(pyrrolidine-1-carbonyl)phenyl]urea?
The InChIKey is JIDVPOUNBZVBKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-2-9-16-15(20)17-13-8-4-3-7-12(13)14(19)18-10-5-6-11-18/h3-4,7-8H,2,5-6,9-11H2,1H3,(H2,16,17,20).
What are the key properties of 1-propyl-3-[2-(pyrrolidine-1-carbonyl)phenyl]urea?
1-propyl-3-[2-(pyrrolidine-1-carbonyl)phenyl]urea has a molecular weight of 275.35 g/mol, XLogP of 2.45, 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-(pyrrolidine-1-carbonyl)phenyl]urea is sourced from PubChem (CID 47201043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).