1-(2-hydroxyethyl)-3-(5-oxo-1-phenylpyrrolidin-3-yl)-1-propan-2-ylurea

C16H23N3O3 — CID 43969233

IUPAC1-(2-hydroxyethyl)-3-(5-oxo-1-phenylpyrrolidin-3-yl)-1-propan-2-ylurea
SMILESCC(C)N(CCO)C(=O)NC1CC(=O)N(c2ccccc2)C1
InChIInChI=1S/C16H23N3O3/c1-12(2)18(8-9-20)16(22)17-13-10-15(21)19(11-13)14-6-4-3-5-7-14/h3-7,12-13,20H,8-11H2,1-2H3,(H,17,22)
InChIKeyUJBDGKNBPULSAS-UHFFFAOYSA-N
MW305.38 g/mol
LogP1.20
Rot. Bonds5

About 1-(2-hydroxyethyl)-3-(5-oxo-1-phenylpyrrolidin-3-yl)-1-propan-2-ylurea

1-(2-hydroxyethyl)-3-(5-oxo-1-phenylpyrrolidin-3-yl)-1-propan-2-ylurea (PubChem CID 43969233) has the molecular formula C16H23N3O3 and a molecular weight of 305.38 g/mol. Its IUPAC name is 1-(2-hydroxyethyl)-3-(5-oxo-1-phenylpyrrolidin-3-yl)-1-propan-2-ylurea.

Molecular Properties

Compound Name1-(2-hydroxyethyl)-3-(5-oxo-1-phenylpyrrolidin-3-yl)-1-propan-2-ylurea
PubChem CID43969233
Molecular FormulaC16H23N3O3
Molecular Weight305.38 g/mol
Exact Mass305.17
IUPAC Name1-(2-hydroxyethyl)-3-(5-oxo-1-phenylpyrrolidin-3-yl)-1-propan-2-ylurea
SMILESCC(C)N(CCO)C(=O)NC1CC(=O)N(c2ccccc2)C1
InChIInChI=1S/C16H23N3O3/c1-12(2)18(8-9-20)16(22)17-13-10-15(21)19(11-13)14-6-4-3-5-7-14/h3-7,12-13,20H,8-11H2,1-2H3,(H,17,22)
InChIKeyUJBDGKNBPULSAS-UHFFFAOYSA-N
XLogP1.20
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(3S)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]-1-(2-hydroxyethyl)-1-propan-2-ylurea
CID 7546959
1-benzyl-3-(5-oxo-1-phenylpyrrolidin-3-yl)-1-propan-2-ylurea
CID 43969205
1-ethyl-1-(2-hydroxyethyl)-3-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]urea
CID 7513218
1,1-dimethyl-3-(5-oxo-1-phenylpyrrolidin-3-yl)urea
CID 18564044
1-benzyl-1-(2-hydroxyethyl)-3-(5-oxo-1-phenylpyrrolidin-3-yl)urea
CID 18564047
1-benzyl-3-[(3R)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]-1-propan-2-ylurea
CID 7546779
(2R)-2-amino-N-(5-oxo-1-phenylpyrrolidin-3-yl)propanamide
CID 119305747
1,1-dibenzyl-3-(5-oxo-1-phenylpyrrolidin-3-yl)urea
CID 43969207
1-benzyl-3-[(3S)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-1-propan-2-ylurea
CID 7552374
1-benzyl-3-[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-1-(2-hydroxyethyl)urea
CID 7215846
1-(3-methylbutyl)-3-(5-oxo-1-phenylpyrrolidin-3-yl)urea
CID 43969243
N-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]butanamide
CID 7546570

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethyl)-3-(5-oxo-1-phenylpyrrolidin-3-yl)-1-propan-2-ylurea?
The IUPAC name of 1-(2-hydroxyethyl)-3-(5-oxo-1-phenylpyrrolidin-3-yl)-1-propan-2-ylurea (CID 43969233) is 1-(2-hydroxyethyl)-3-(5-oxo-1-phenylpyrrolidin-3-yl)-1-propan-2-ylurea.
What is the SMILES notation for 1-(2-hydroxyethyl)-3-(5-oxo-1-phenylpyrrolidin-3-yl)-1-propan-2-ylurea?
The canonical SMILES for 1-(2-hydroxyethyl)-3-(5-oxo-1-phenylpyrrolidin-3-yl)-1-propan-2-ylurea is CC(C)N(CCO)C(=O)NC1CC(=O)N(c2ccccc2)C1.
What is the InChIKey of 1-(2-hydroxyethyl)-3-(5-oxo-1-phenylpyrrolidin-3-yl)-1-propan-2-ylurea?
The InChIKey is UJBDGKNBPULSAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3/c1-12(2)18(8-9-20)16(22)17-13-10-15(21)19(11-13)14-6-4-3-5-7-14/h3-7,12-13,20H,8-11H2,1-2H3,(H,17,22).
What are the key properties of 1-(2-hydroxyethyl)-3-(5-oxo-1-phenylpyrrolidin-3-yl)-1-propan-2-ylurea?
1-(2-hydroxyethyl)-3-(5-oxo-1-phenylpyrrolidin-3-yl)-1-propan-2-ylurea has a molecular weight of 305.38 g/mol, XLogP of 1.20, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethyl)-3-(5-oxo-1-phenylpyrrolidin-3-yl)-1-propan-2-ylurea is sourced from PubChem (CID 43969233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).