1-cyclopropyl-3-[2-ethyl-2-(hydroxymethyl)butyl]urea

C11H22N2O2 — CID 103842814

IUPAC1-cyclopropyl-3-[2-ethyl-2-(hydroxymethyl)butyl]urea
SMILESCCC(CC)(CO)CNC(=O)NC1CC1
InChIInChI=1S/C11H22N2O2/c1-3-11(4-2,8-14)7-12-10(15)13-9-5-6-9/h9,14H,3-8H2,1-2H3,(H2,12,13,15)
InChIKeyOKBFQKSJXIKLHA-UHFFFAOYSA-N
MW214.31 g/mol
LogP1.25
Rot. Bonds6

About 1-cyclopropyl-3-[2-ethyl-2-(hydroxymethyl)butyl]urea

1-cyclopropyl-3-[2-ethyl-2-(hydroxymethyl)butyl]urea (PubChem CID 103842814) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 1-cyclopropyl-3-[2-ethyl-2-(hydroxymethyl)butyl]urea.

Molecular Properties

Compound Name1-cyclopropyl-3-[2-ethyl-2-(hydroxymethyl)butyl]urea
PubChem CID103842814
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name1-cyclopropyl-3-[2-ethyl-2-(hydroxymethyl)butyl]urea
SMILESCCC(CC)(CO)CNC(=O)NC1CC1
InChIInChI=1S/C11H22N2O2/c1-3-11(4-2,8-14)7-12-10(15)13-9-5-6-9/h9,14H,3-8H2,1-2H3,(H2,12,13,15)
InChIKeyOKBFQKSJXIKLHA-UHFFFAOYSA-N
XLogP1.25
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 51.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclopropyl-3-(4-hydroxy-2,2-dimethylbutyl)urea
CID 103708347
1-cyclobutyl-3-(2,2-dimethylbutyl)urea
CID 103461025
1-cyclobutyl-3-(2-ethyl-2-hydroxybutyl)urea
CID 115642262
1-cyclopropyl-3-[2-(dimethylamino)-2-methylpropyl]urea
CID 110303291
1-(4-ethylcyclohexyl)-3-(2,2,2-trifluoroethyl)urea
CID 113225883
1-cyclobutyl-3-(2,2-dimethylpropyl)urea
CID 115617999
1-(3-amino-2,2-difluoropropyl)-3-cyclopropylurea
CID 114383861
2-amino-N-[2-ethyl-2-(hydroxymethyl)butyl]cyclopentane-1-carboxamide
CID 114164712
3-(2,2-dimethylbutylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 103463220
1-cyclopentyl-3-[3-(hydroxymethyl)pentan-3-yl]urea
CID 79493195
tert-butyl N-[3-[[2-ethyl-2-(hydroxymethyl)butyl]amino]cyclopentyl]carbamate
CID 106251342
1-cyclopropyl-3-(3,3-dimethylbutyl)urea
CID 115580158

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[2-ethyl-2-(hydroxymethyl)butyl]urea?
The IUPAC name of 1-cyclopropyl-3-[2-ethyl-2-(hydroxymethyl)butyl]urea (CID 103842814) is 1-cyclopropyl-3-[2-ethyl-2-(hydroxymethyl)butyl]urea.
What is the SMILES notation for 1-cyclopropyl-3-[2-ethyl-2-(hydroxymethyl)butyl]urea?
The canonical SMILES for 1-cyclopropyl-3-[2-ethyl-2-(hydroxymethyl)butyl]urea is CCC(CC)(CO)CNC(=O)NC1CC1.
What is the InChIKey of 1-cyclopropyl-3-[2-ethyl-2-(hydroxymethyl)butyl]urea?
The InChIKey is OKBFQKSJXIKLHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-3-11(4-2,8-14)7-12-10(15)13-9-5-6-9/h9,14H,3-8H2,1-2H3,(H2,12,13,15).
What are the key properties of 1-cyclopropyl-3-[2-ethyl-2-(hydroxymethyl)butyl]urea?
1-cyclopropyl-3-[2-ethyl-2-(hydroxymethyl)butyl]urea has a molecular weight of 214.31 g/mol, XLogP of 1.25, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-[2-ethyl-2-(hydroxymethyl)butyl]urea is sourced from PubChem (CID 103842814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).