1-cyclohexyl-3-[2-hydroxy-3-(2-oxopyrrolidin-1-yl)propyl]urea

C14H25N3O3 — CID 56821849

IUPAC1-cyclohexyl-3-[2-hydroxy-3-(2-oxopyrrolidin-1-yl)propyl]urea
SMILESO=C(NCC(O)CN1CCCC1=O)NC1CCCCC1
InChIInChI=1S/C14H25N3O3/c18-12(10-17-8-4-7-13(17)19)9-15-14(20)16-11-5-2-1-3-6-11/h11-12,18H,1-10H2,(H2,15,16,20)
InChIKeySFMWSGSAMCYAHV-UHFFFAOYSA-N
MW283.37 g/mol
LogP0.60
Rot. Bonds5

About 1-cyclohexyl-3-[2-hydroxy-3-(2-oxopyrrolidin-1-yl)propyl]urea

1-cyclohexyl-3-[2-hydroxy-3-(2-oxopyrrolidin-1-yl)propyl]urea (PubChem CID 56821849) has the molecular formula C14H25N3O3 and a molecular weight of 283.37 g/mol. Its IUPAC name is 1-cyclohexyl-3-[2-hydroxy-3-(2-oxopyrrolidin-1-yl)propyl]urea.

Molecular Properties

Compound Name1-cyclohexyl-3-[2-hydroxy-3-(2-oxopyrrolidin-1-yl)propyl]urea
PubChem CID56821849
Molecular FormulaC14H25N3O3
Molecular Weight283.37 g/mol
Exact Mass283.19
IUPAC Name1-cyclohexyl-3-[2-hydroxy-3-(2-oxopyrrolidin-1-yl)propyl]urea
SMILESO=C(NCC(O)CN1CCCC1=O)NC1CCCCC1
InChIInChI=1S/C14H25N3O3/c18-12(10-17-8-4-7-13(17)19)9-15-14(20)16-11-5-2-1-3-6-11/h11-12,18H,1-10H2,(H2,15,16,20)
InChIKeySFMWSGSAMCYAHV-UHFFFAOYSA-N
XLogP0.60
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 50.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-Cyclohexyl-3-[3-(2-oxo-pyrrolidin-1-yl)-propyl]-urea
CID 3226716
2-(hydroxymethyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-1-carboxamide
CID 172434026
1-cyclohexyl-3-[(2S)-2-hydroxy-3-(2-oxopyrrolidin-1-yl)propyl]urea
CID 95591174
1-[(1-cyclohexylpyrrolidin-2-yl)methyl]-3-[(2S)-2-hydroxypropyl]urea
CID 121535979
3-cyclohexyl-1-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-1-methylurea
CID 43596816
N-cyclohexyl-N-(2-hydroxyethyl)-2-pyrrolidin-2-ylacetamide
CID 61363882
N-cyclohexyl-3-hydroxypyrrolidine-1-carboxamide
CID 62917800
N-cyclohexyl-3-(3-hydroxypyrrolidin-1-yl)propanamide
CID 62917833
N-cyclohexyl-N-(2-hydroxyethyl)pyrrolidine-3-carboxamide
CID 63005300
N-cyclohexyl-3-[(3S)-3-hydroxypyrrolidin-1-yl]propanamide
CID 64195205
(3S)-N-cyclohexyl-3-hydroxypyrrolidine-1-carboxamide
CID 64457680
4-(cyclohexylcarbamoylamino)-N-(2-hydroxyethyl)butanamide
CID 78841901

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[2-hydroxy-3-(2-oxopyrrolidin-1-yl)propyl]urea?
The IUPAC name of 1-cyclohexyl-3-[2-hydroxy-3-(2-oxopyrrolidin-1-yl)propyl]urea (CID 56821849) is 1-cyclohexyl-3-[2-hydroxy-3-(2-oxopyrrolidin-1-yl)propyl]urea.
What is the SMILES notation for 1-cyclohexyl-3-[2-hydroxy-3-(2-oxopyrrolidin-1-yl)propyl]urea?
The canonical SMILES for 1-cyclohexyl-3-[2-hydroxy-3-(2-oxopyrrolidin-1-yl)propyl]urea is O=C(NCC(O)CN1CCCC1=O)NC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-[2-hydroxy-3-(2-oxopyrrolidin-1-yl)propyl]urea?
The InChIKey is SFMWSGSAMCYAHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O3/c18-12(10-17-8-4-7-13(17)19)9-15-14(20)16-11-5-2-1-3-6-11/h11-12,18H,1-10H2,(H2,15,16,20).
What are the key properties of 1-cyclohexyl-3-[2-hydroxy-3-(2-oxopyrrolidin-1-yl)propyl]urea?
1-cyclohexyl-3-[2-hydroxy-3-(2-oxopyrrolidin-1-yl)propyl]urea has a molecular weight of 283.37 g/mol, XLogP of 0.60, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[2-hydroxy-3-(2-oxopyrrolidin-1-yl)propyl]urea is sourced from PubChem (CID 56821849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).