1-[1-(2,3-dicyclopropylazetidine-1-carbonyl)cyclopentyl]-3-ethylurea

C18H29N3O2 — CID 128646285

IUPAC1-[1-(2,3-dicyclopropylazetidine-1-carbonyl)cyclopentyl]-3-ethylurea
SMILESCCNC(=O)NC1(C(=O)N2CC(C3CC3)C2C2CC2)CCCC1
InChIInChI=1S/C18H29N3O2/c1-2-19-17(23)20-18(9-3-4-10-18)16(22)21-11-14(12-5-6-12)15(21)13-7-8-13/h12-15H,2-11H2,1H3,(H2,19,20,23)
InChIKeyPJUKIMGRHKMSJD-UHFFFAOYSA-N
MW319.45 g/mol
LogP2.27
Rot. Bonds5

About 1-[1-(2,3-dicyclopropylazetidine-1-carbonyl)cyclopentyl]-3-ethylurea

1-[1-(2,3-dicyclopropylazetidine-1-carbonyl)cyclopentyl]-3-ethylurea (PubChem CID 128646285) has the molecular formula C18H29N3O2 and a molecular weight of 319.45 g/mol. Its IUPAC name is 1-[1-(2,3-dicyclopropylazetidine-1-carbonyl)cyclopentyl]-3-ethylurea.

Molecular Properties

Compound Name1-[1-(2,3-dicyclopropylazetidine-1-carbonyl)cyclopentyl]-3-ethylurea
PubChem CID128646285
Molecular FormulaC18H29N3O2
Molecular Weight319.45 g/mol
Exact Mass319.23
IUPAC Name1-[1-(2,3-dicyclopropylazetidine-1-carbonyl)cyclopentyl]-3-ethylurea
SMILESCCNC(=O)NC1(C(=O)N2CC(C3CC3)C2C2CC2)CCCC1
InChIInChI=1S/C18H29N3O2/c1-2-19-17(23)20-18(9-3-4-10-18)16(22)21-11-14(12-5-6-12)15(21)13-7-8-13/h12-15H,2-11H2,1H3,(H2,19,20,23)
InChIKeyPJUKIMGRHKMSJD-UHFFFAOYSA-N
XLogP2.27
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,3-dicyclopropylazetidine-1-carbonyl)cyclopentyl]-3-ethylurea?
The IUPAC name of 1-[1-(2,3-dicyclopropylazetidine-1-carbonyl)cyclopentyl]-3-ethylurea (CID 128646285) is 1-[1-(2,3-dicyclopropylazetidine-1-carbonyl)cyclopentyl]-3-ethylurea.
What is the SMILES notation for 1-[1-(2,3-dicyclopropylazetidine-1-carbonyl)cyclopentyl]-3-ethylurea?
The canonical SMILES for 1-[1-(2,3-dicyclopropylazetidine-1-carbonyl)cyclopentyl]-3-ethylurea is CCNC(=O)NC1(C(=O)N2CC(C3CC3)C2C2CC2)CCCC1.
What is the InChIKey of 1-[1-(2,3-dicyclopropylazetidine-1-carbonyl)cyclopentyl]-3-ethylurea?
The InChIKey is PJUKIMGRHKMSJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O2/c1-2-19-17(23)20-18(9-3-4-10-18)16(22)21-11-14(12-5-6-12)15(21)13-7-8-13/h12-15H,2-11H2,1H3,(H2,19,20,23).
What are the key properties of 1-[1-(2,3-dicyclopropylazetidine-1-carbonyl)cyclopentyl]-3-ethylurea?
1-[1-(2,3-dicyclopropylazetidine-1-carbonyl)cyclopentyl]-3-ethylurea has a molecular weight of 319.45 g/mol, XLogP of 2.27, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,3-dicyclopropylazetidine-1-carbonyl)cyclopentyl]-3-ethylurea is sourced from PubChem (CID 128646285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).