1-[2-(2-hydroxyethyl)cyclopentyl]-3-(2,2,3-trimethylbutyl)urea

C15H30N2O2 — CID 119039464

IUPAC1-[2-(2-hydroxyethyl)cyclopentyl]-3-(2,2,3-trimethylbutyl)urea
SMILESCC(C)C(C)(C)CNC(=O)NC1CCCC1CCO
InChIInChI=1S/C15H30N2O2/c1-11(2)15(3,4)10-16-14(19)17-13-7-5-6-12(13)8-9-18/h11-13,18H,5-10H2,1-4H3,(H2,16,17,19)
InChIKeyBNKUTTLAWWCTCK-UHFFFAOYSA-N
MW270.42 g/mol
LogP2.52
Rot. Bonds6

About 1-[2-(2-hydroxyethyl)cyclopentyl]-3-(2,2,3-trimethylbutyl)urea

1-[2-(2-hydroxyethyl)cyclopentyl]-3-(2,2,3-trimethylbutyl)urea (PubChem CID 119039464) has the molecular formula C15H30N2O2 and a molecular weight of 270.42 g/mol. Its IUPAC name is 1-[2-(2-hydroxyethyl)cyclopentyl]-3-(2,2,3-trimethylbutyl)urea.

Molecular Properties

Compound Name1-[2-(2-hydroxyethyl)cyclopentyl]-3-(2,2,3-trimethylbutyl)urea
PubChem CID119039464
Molecular FormulaC15H30N2O2
Molecular Weight270.42 g/mol
Exact Mass270.23
IUPAC Name1-[2-(2-hydroxyethyl)cyclopentyl]-3-(2,2,3-trimethylbutyl)urea
SMILESCC(C)C(C)(C)CNC(=O)NC1CCCC1CCO
InChIInChI=1S/C15H30N2O2/c1-11(2)15(3,4)10-16-14(19)17-13-7-5-6-12(13)8-9-18/h11-13,18H,5-10H2,1-4H3,(H2,16,17,19)
InChIKeyBNKUTTLAWWCTCK-UHFFFAOYSA-N
XLogP2.52
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 52.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-hydroxyethyl)cyclopentyl]-3-(2,2,3-trimethylbutyl)urea?
The IUPAC name of 1-[2-(2-hydroxyethyl)cyclopentyl]-3-(2,2,3-trimethylbutyl)urea (CID 119039464) is 1-[2-(2-hydroxyethyl)cyclopentyl]-3-(2,2,3-trimethylbutyl)urea.
What is the SMILES notation for 1-[2-(2-hydroxyethyl)cyclopentyl]-3-(2,2,3-trimethylbutyl)urea?
The canonical SMILES for 1-[2-(2-hydroxyethyl)cyclopentyl]-3-(2,2,3-trimethylbutyl)urea is CC(C)C(C)(C)CNC(=O)NC1CCCC1CCO.
What is the InChIKey of 1-[2-(2-hydroxyethyl)cyclopentyl]-3-(2,2,3-trimethylbutyl)urea?
The InChIKey is BNKUTTLAWWCTCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2/c1-11(2)15(3,4)10-16-14(19)17-13-7-5-6-12(13)8-9-18/h11-13,18H,5-10H2,1-4H3,(H2,16,17,19).
What are the key properties of 1-[2-(2-hydroxyethyl)cyclopentyl]-3-(2,2,3-trimethylbutyl)urea?
1-[2-(2-hydroxyethyl)cyclopentyl]-3-(2,2,3-trimethylbutyl)urea has a molecular weight of 270.42 g/mol, XLogP of 2.52, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-hydroxyethyl)cyclopentyl]-3-(2,2,3-trimethylbutyl)urea is sourced from PubChem (CID 119039464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).