3-tert-butyl-1-(1-cyclopropylethyl)-1-(2-methoxyethyl)urea

C13H26N2O2 — CID 113256723

IUPAC3-tert-butyl-1-(1-cyclopropylethyl)-1-(2-methoxyethyl)urea
SMILESCOCCN(C(=O)NC(C)(C)C)C(C)C1CC1
InChIInChI=1S/C13H26N2O2/c1-10(11-6-7-11)15(8-9-17-5)12(16)14-13(2,3)4/h10-11H,6-9H2,1-5H3,(H,14,16)
InChIKeyKCKOWLKMARQKEY-UHFFFAOYSA-N
MW242.36 g/mol
LogP2.24
Rot. Bonds5

About 3-tert-butyl-1-(1-cyclopropylethyl)-1-(2-methoxyethyl)urea

3-tert-butyl-1-(1-cyclopropylethyl)-1-(2-methoxyethyl)urea (PubChem CID 113256723) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 3-tert-butyl-1-(1-cyclopropylethyl)-1-(2-methoxyethyl)urea.

Molecular Properties

Compound Name3-tert-butyl-1-(1-cyclopropylethyl)-1-(2-methoxyethyl)urea
PubChem CID113256723
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name3-tert-butyl-1-(1-cyclopropylethyl)-1-(2-methoxyethyl)urea
SMILESCOCCN(C(=O)NC(C)(C)C)C(C)C1CC1
InChIInChI=1S/C13H26N2O2/c1-10(11-6-7-11)15(8-9-17-5)12(16)14-13(2,3)4/h10-11H,6-9H2,1-5H3,(H,14,16)
InChIKeyKCKOWLKMARQKEY-UHFFFAOYSA-N
XLogP2.24
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-cyclobutyl-1-(1-cyclopropylethyl)-1-(2-methoxyethyl)urea
CID 115642256
N-(1-cyclopropylethyl)-2-hydroxy-N-(2-methoxyethyl)-2-methylpropanamide
CID 103429770
N-(1-cyclopropylethyl)-2-(ethylamino)-N-(2-methoxyethyl)-2-methylpropanamide
CID 62834379
2-chloro-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)propanamide
CID 60948418
5-[1-cyclopropylethyl(2-methoxyethyl)amino]-3,3-dimethyl-5-oxopentanoic acid
CID 62933896
(2S)-2-[[1-cyclopropylethyl(2-methoxyethyl)carbamoyl]amino]hexanoic acid
CID 107145828
2-carbamothioyl-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-2-methylbutanamide
CID 114292133
2-[[1-cyclopropylethyl(2-methoxyethyl)carbamoyl]-methylamino]propanoic acid
CID 62637212
5-[1-cyclopropylethyl(2-methoxyethyl)amino]-5-oxopentanoic acid
CID 54875337
cis-(1S,2R)-2-[1-cyclopropylethyl(2-methoxyethyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 114091974
2-[[1-cyclopropylethyl(2-methoxyethyl)carbamoyl]-(2-methylpropyl)amino]acetic acid
CID 63065274
N-(1-cyclopropylethyl)-N-(2-methoxyethyl)benzamide
CID 60794981

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-1-(1-cyclopropylethyl)-1-(2-methoxyethyl)urea?
The IUPAC name of 3-tert-butyl-1-(1-cyclopropylethyl)-1-(2-methoxyethyl)urea (CID 113256723) is 3-tert-butyl-1-(1-cyclopropylethyl)-1-(2-methoxyethyl)urea.
What is the SMILES notation for 3-tert-butyl-1-(1-cyclopropylethyl)-1-(2-methoxyethyl)urea?
The canonical SMILES for 3-tert-butyl-1-(1-cyclopropylethyl)-1-(2-methoxyethyl)urea is COCCN(C(=O)NC(C)(C)C)C(C)C1CC1.
What is the InChIKey of 3-tert-butyl-1-(1-cyclopropylethyl)-1-(2-methoxyethyl)urea?
The InChIKey is KCKOWLKMARQKEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-10(11-6-7-11)15(8-9-17-5)12(16)14-13(2,3)4/h10-11H,6-9H2,1-5H3,(H,14,16).
What are the key properties of 3-tert-butyl-1-(1-cyclopropylethyl)-1-(2-methoxyethyl)urea?
3-tert-butyl-1-(1-cyclopropylethyl)-1-(2-methoxyethyl)urea has a molecular weight of 242.36 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-1-(1-cyclopropylethyl)-1-(2-methoxyethyl)urea is sourced from PubChem (CID 113256723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).