1-[(1-ethylcyclopentyl)methyl]-3-[3-(2-oxopyrrolidin-1-yl)propyl]urea

C16H29N3O2 — CID 75380392

IUPAC1-[(1-ethylcyclopentyl)methyl]-3-[3-(2-oxopyrrolidin-1-yl)propyl]urea
SMILESCCC1(CNC(=O)NCCCN2CCCC2=O)CCCC1
InChIInChI=1S/C16H29N3O2/c1-2-16(8-3-4-9-16)13-18-15(21)17-10-6-12-19-11-5-7-14(19)20/h2-13H2,1H3,(H2,17,18,21)
InChIKeyPHYDRUSNBUIDFE-UHFFFAOYSA-N
MW295.43 g/mol
LogP2.27
Rot. Bonds7

About 1-[(1-ethylcyclopentyl)methyl]-3-[3-(2-oxopyrrolidin-1-yl)propyl]urea

1-[(1-ethylcyclopentyl)methyl]-3-[3-(2-oxopyrrolidin-1-yl)propyl]urea (PubChem CID 75380392) has the molecular formula C16H29N3O2 and a molecular weight of 295.43 g/mol. Its IUPAC name is 1-[(1-ethylcyclopentyl)methyl]-3-[3-(2-oxopyrrolidin-1-yl)propyl]urea.

Molecular Properties

Compound Name1-[(1-ethylcyclopentyl)methyl]-3-[3-(2-oxopyrrolidin-1-yl)propyl]urea
PubChem CID75380392
Molecular FormulaC16H29N3O2
Molecular Weight295.43 g/mol
Exact Mass295.23
IUPAC Name1-[(1-ethylcyclopentyl)methyl]-3-[3-(2-oxopyrrolidin-1-yl)propyl]urea
SMILESCCC1(CNC(=O)NCCCN2CCCC2=O)CCCC1
InChIInChI=1S/C16H29N3O2/c1-2-16(8-3-4-9-16)13-18-15(21)17-10-6-12-19-11-5-7-14(19)20/h2-13H2,1H3,(H2,17,18,21)
InChIKeyPHYDRUSNBUIDFE-UHFFFAOYSA-N
XLogP2.27
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(1-ethylcyclopentyl)methyl]-3-[3-(2-oxopyrrolidin-1-yl)propyl]urea?
The IUPAC name of 1-[(1-ethylcyclopentyl)methyl]-3-[3-(2-oxopyrrolidin-1-yl)propyl]urea (CID 75380392) is 1-[(1-ethylcyclopentyl)methyl]-3-[3-(2-oxopyrrolidin-1-yl)propyl]urea.
What is the SMILES notation for 1-[(1-ethylcyclopentyl)methyl]-3-[3-(2-oxopyrrolidin-1-yl)propyl]urea?
The canonical SMILES for 1-[(1-ethylcyclopentyl)methyl]-3-[3-(2-oxopyrrolidin-1-yl)propyl]urea is CCC1(CNC(=O)NCCCN2CCCC2=O)CCCC1.
What is the InChIKey of 1-[(1-ethylcyclopentyl)methyl]-3-[3-(2-oxopyrrolidin-1-yl)propyl]urea?
The InChIKey is PHYDRUSNBUIDFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O2/c1-2-16(8-3-4-9-16)13-18-15(21)17-10-6-12-19-11-5-7-14(19)20/h2-13H2,1H3,(H2,17,18,21).
What are the key properties of 1-[(1-ethylcyclopentyl)methyl]-3-[3-(2-oxopyrrolidin-1-yl)propyl]urea?
1-[(1-ethylcyclopentyl)methyl]-3-[3-(2-oxopyrrolidin-1-yl)propyl]urea has a molecular weight of 295.43 g/mol, XLogP of 2.27, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-ethylcyclopentyl)methyl]-3-[3-(2-oxopyrrolidin-1-yl)propyl]urea is sourced from PubChem (CID 75380392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).