3-tert-butyl-1-(2-hydroxyethyl)-1-methylurea

C8H18N2O2 — CID 60960998

IUPAC3-tert-butyl-1-(2-hydroxyethyl)-1-methylurea
SMILESCN(CCO)C(=O)NC(C)(C)C
InChIInChI=1S/C8H18N2O2/c1-8(2,3)9-7(12)10(4)5-6-11/h11H,5-6H2,1-4H3,(H,9,12)
InChIKeyWDBDAJUVEFOPGB-UHFFFAOYSA-N
MW174.24 g/mol
LogP0.42
Rot. Bonds2

About 3-tert-butyl-1-(2-hydroxyethyl)-1-methylurea

3-tert-butyl-1-(2-hydroxyethyl)-1-methylurea (PubChem CID 60960998) has the molecular formula C8H18N2O2 and a molecular weight of 174.24 g/mol. Its IUPAC name is 3-tert-butyl-1-(2-hydroxyethyl)-1-methylurea.

Molecular Properties

Compound Name3-tert-butyl-1-(2-hydroxyethyl)-1-methylurea
PubChem CID60960998
Molecular FormulaC8H18N2O2
Molecular Weight174.24 g/mol
Exact Mass174.14
IUPAC Name3-tert-butyl-1-(2-hydroxyethyl)-1-methylurea
SMILESCN(CCO)C(=O)NC(C)(C)C
InChIInChI=1S/C8H18N2O2/c1-8(2,3)9-7(12)10(4)5-6-11/h11H,5-6H2,1-4H3,(H,9,12)
InChIKeyWDBDAJUVEFOPGB-UHFFFAOYSA-N
XLogP0.42
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-hydroxyethyl)-1-methyl-3-(trifluoromethyl)urea
CID 108865976
methyl 4-[tert-butylcarbamoyl(methyl)amino]butanoate
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4-[[2-hydroxyethyl(methyl)carbamoyl]amino]-3,3-dimethylbutanoic acid
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tert-butyl N-[2-[[2-hydroxyethyl(methyl)carbamoyl]amino]ethyl]carbamate
CID 108864477
3-tert-butyl-1-(2-cyanopropyl)-1-methylurea
CID 60970717
3-tert-butyl-1-methyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)urea
CID 115574206
N'-(2-hydroxyethyl)-N'-methyl-N-(2,4,4-trimethylpentan-2-yl)oxamide
CID 108526209
2-[bis(2-hydroxyethyl)amino]-N-tert-butylpropanamide
CID 60686797
methyl N-(2-hydroxyethyl)-N-methylcarbamate
CID 568300
1,1-dibutyl-3-tert-butylurea
CID 11413547
N-(2-hydroxyethyl)-N-methylpiperidine-1-carboxamide
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CID 15211329

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-1-(2-hydroxyethyl)-1-methylurea?
The IUPAC name of 3-tert-butyl-1-(2-hydroxyethyl)-1-methylurea (CID 60960998) is 3-tert-butyl-1-(2-hydroxyethyl)-1-methylurea.
What is the SMILES notation for 3-tert-butyl-1-(2-hydroxyethyl)-1-methylurea?
The canonical SMILES for 3-tert-butyl-1-(2-hydroxyethyl)-1-methylurea is CN(CCO)C(=O)NC(C)(C)C.
What is the InChIKey of 3-tert-butyl-1-(2-hydroxyethyl)-1-methylurea?
The InChIKey is WDBDAJUVEFOPGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O2/c1-8(2,3)9-7(12)10(4)5-6-11/h11H,5-6H2,1-4H3,(H,9,12).
What are the key properties of 3-tert-butyl-1-(2-hydroxyethyl)-1-methylurea?
3-tert-butyl-1-(2-hydroxyethyl)-1-methylurea has a molecular weight of 174.24 g/mol, XLogP of 0.42, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-1-(2-hydroxyethyl)-1-methylurea is sourced from PubChem (CID 60960998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).