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

C17H25N3O3 — CID 60577432

IUPAC1-(3-hydroxypropyl)-3-[4-(3-oxo-3-pyrrolidin-1-ylpropyl)phenyl]urea
SMILESO=C(NCCCO)Nc1ccc(CCC(=O)N2CCCC2)cc1
InChIInChI=1S/C17H25N3O3/c21-13-3-10-18-17(23)19-15-7-4-14(5-8-15)6-9-16(22)20-11-1-2-12-20/h4-5,7-8,21H,1-3,6,9-13H2,(H2,18,19,23)
InChIKeyGRJPNVKJGBZKPY-UHFFFAOYSA-N
MW319.41 g/mol
LogP1.75
Rot. Bonds7

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

1-(3-hydroxypropyl)-3-[4-(3-oxo-3-pyrrolidin-1-ylpropyl)phenyl]urea (PubChem CID 60577432) has the molecular formula C17H25N3O3 and a molecular weight of 319.41 g/mol. Its IUPAC name is 1-(3-hydroxypropyl)-3-[4-(3-oxo-3-pyrrolidin-1-ylpropyl)phenyl]urea.

Molecular Properties

Compound Name1-(3-hydroxypropyl)-3-[4-(3-oxo-3-pyrrolidin-1-ylpropyl)phenyl]urea
PubChem CID60577432
Molecular FormulaC17H25N3O3
Molecular Weight319.41 g/mol
Exact Mass319.19
IUPAC Name1-(3-hydroxypropyl)-3-[4-(3-oxo-3-pyrrolidin-1-ylpropyl)phenyl]urea
SMILESO=C(NCCCO)Nc1ccc(CCC(=O)N2CCCC2)cc1
InChIInChI=1S/C17H25N3O3/c21-13-3-10-18-17(23)19-15-7-4-14(5-8-15)6-9-16(22)20-11-1-2-12-20/h4-5,7-8,21H,1-3,6,9-13H2,(H2,18,19,23)
InChIKeyGRJPNVKJGBZKPY-UHFFFAOYSA-N
XLogP1.75
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 51.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[3-(azepan-1-yl)-3-oxopropyl]-3-[4-[2-(diethylamino)ethyl]phenyl]urea
CID 119048990
1-[(2,4-dichlorophenyl)methyl]-3-[4-(3-oxo-3-pyrrolidin-1-ylpropyl)phenyl]urea
CID 60576943
N-[4-(3-oxo-3-pyrrolidin-1-ylpropyl)phenyl]pentanamide
CID 110314338
3-(4-fluorophenyl)-N-[4-(3-oxo-3-pyrrolidin-1-ylpropyl)phenyl]propanamide
CID 110633755
2-[4-(3-oxo-3-pyrrolidin-1-ylpropyl)anilino]ethene-1,1,2-tricarbonitrile
CID 168609116
(2S)-2-amino-N-[4-(3-oxo-3-pyrrolidin-1-ylpropyl)phenyl]propanamide;hydrochloride
CID 119303606
N-[4-(3-hydroxypropyl)phenyl]azetidine-1-carboxamide
CID 143227744
(2S)-2-amino-4-methyl-N-[4-(3-oxo-3-pyrrolidin-1-ylpropyl)phenyl]pentanamide;hydrochloride
CID 119749397
1-[3-[4-(dimethylamino)phenyl]propyl]-3-[4-(pyrrolidine-1-carbonyl)phenyl]urea
CID 86988223
1-(5-methyl-1H-pyrazol-3-yl)-3-[4-(3-oxo-3-pyrrolidin-1-ylpropyl)phenyl]urea
CID 99835760
1-[1-(2-chlorophenyl)ethyl]-3-[4-(3-oxo-3-pyrrolidin-1-ylpropyl)phenyl]urea
CID 60577236
(2S)-2-amino-N-[4-(3-oxo-3-pyrrolidin-1-ylpropyl)phenyl]-3-phenylpropanamide;hydrochloride
CID 119303616

Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxypropyl)-3-[4-(3-oxo-3-pyrrolidin-1-ylpropyl)phenyl]urea?
The IUPAC name of 1-(3-hydroxypropyl)-3-[4-(3-oxo-3-pyrrolidin-1-ylpropyl)phenyl]urea (CID 60577432) is 1-(3-hydroxypropyl)-3-[4-(3-oxo-3-pyrrolidin-1-ylpropyl)phenyl]urea.
What is the SMILES notation for 1-(3-hydroxypropyl)-3-[4-(3-oxo-3-pyrrolidin-1-ylpropyl)phenyl]urea?
The canonical SMILES for 1-(3-hydroxypropyl)-3-[4-(3-oxo-3-pyrrolidin-1-ylpropyl)phenyl]urea is O=C(NCCCO)Nc1ccc(CCC(=O)N2CCCC2)cc1.
What is the InChIKey of 1-(3-hydroxypropyl)-3-[4-(3-oxo-3-pyrrolidin-1-ylpropyl)phenyl]urea?
The InChIKey is GRJPNVKJGBZKPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O3/c21-13-3-10-18-17(23)19-15-7-4-14(5-8-15)6-9-16(22)20-11-1-2-12-20/h4-5,7-8,21H,1-3,6,9-13H2,(H2,18,19,23).
What are the key properties of 1-(3-hydroxypropyl)-3-[4-(3-oxo-3-pyrrolidin-1-ylpropyl)phenyl]urea?
1-(3-hydroxypropyl)-3-[4-(3-oxo-3-pyrrolidin-1-ylpropyl)phenyl]urea has a molecular weight of 319.41 g/mol, XLogP of 1.75, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxypropyl)-3-[4-(3-oxo-3-pyrrolidin-1-ylpropyl)phenyl]urea is sourced from PubChem (CID 60577432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).