3-tert-butyl-1-ethyl-1-propan-2-ylurea

C10H22N2O — CID 115585495

IUPAC3-tert-butyl-1-ethyl-1-propan-2-ylurea
SMILESCCN(C(=O)NC(C)(C)C)C(C)C
InChIInChI=1S/C10H22N2O/c1-7-12(8(2)3)9(13)11-10(4,5)6/h8H,7H2,1-6H3,(H,11,13)
InChIKeyWCVUAYWYWJGNCH-UHFFFAOYSA-N
MW186.30 g/mol
LogP2.22
Rot. Bonds2

About 3-tert-butyl-1-ethyl-1-propan-2-ylurea

3-tert-butyl-1-ethyl-1-propan-2-ylurea (PubChem CID 115585495) has the molecular formula C10H22N2O and a molecular weight of 186.30 g/mol. Its IUPAC name is 3-tert-butyl-1-ethyl-1-propan-2-ylurea.

Molecular Properties

Compound Name3-tert-butyl-1-ethyl-1-propan-2-ylurea
PubChem CID115585495
Molecular FormulaC10H22N2O
Molecular Weight186.30 g/mol
Exact Mass186.17
IUPAC Name3-tert-butyl-1-ethyl-1-propan-2-ylurea
SMILESCCN(C(=O)NC(C)(C)C)C(C)C
InChIInChI=1S/C10H22N2O/c1-7-12(8(2)3)9(13)11-10(4,5)6/h8H,7H2,1-6H3,(H,11,13)
InChIKeyWCVUAYWYWJGNCH-UHFFFAOYSA-N
XLogP2.22
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-tert-butyl-1-[1-(dimethylamino)propan-2-yl]-1-ethylurea
CID 103188292
3-tert-butyl-1-propan-2-yl-1-prop-2-enylurea
CID 115585835
2-[butan-2-yl(tert-butylcarbamoyl)amino]acetic acid
CID 60829080
(2S)-2-[[ethyl(propan-2-yl)carbamoyl]amino]propanoic acid
CID 61196762
3-tert-butyl-1-(2-cyanopropyl)-1-ethylurea
CID 55028671
6-[[ethyl(propan-2-yl)carbamoyl]amino]-4,4-dimethylhexanoic acid
CID 65289831
1-[2-(methylamino)ethyl]-3-(2-methylbutan-2-yl)-1-propan-2-ylurea
CID 165447355
N-ethyl-2-methyl-N-propan-2-ylpropanamide
CID 157175110
ethyl N-ethyl-N-propan-2-ylcarbamate
CID 61216466
2-methyl-2-[[propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]amino]butanoic acid
CID 79801521
2-[[ethyl(1-methoxypropan-2-yl)carbamoyl]amino]-2-methylpropanoic acid
CID 55009512
N-tert-butyl-2-[ethyl-(2-hydroxy-2-methylpropyl)amino]propanamide
CID 79389363

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-1-ethyl-1-propan-2-ylurea?
The IUPAC name of 3-tert-butyl-1-ethyl-1-propan-2-ylurea (CID 115585495) is 3-tert-butyl-1-ethyl-1-propan-2-ylurea.
What is the SMILES notation for 3-tert-butyl-1-ethyl-1-propan-2-ylurea?
The canonical SMILES for 3-tert-butyl-1-ethyl-1-propan-2-ylurea is CCN(C(=O)NC(C)(C)C)C(C)C.
What is the InChIKey of 3-tert-butyl-1-ethyl-1-propan-2-ylurea?
The InChIKey is WCVUAYWYWJGNCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O/c1-7-12(8(2)3)9(13)11-10(4,5)6/h8H,7H2,1-6H3,(H,11,13).
What are the key properties of 3-tert-butyl-1-ethyl-1-propan-2-ylurea?
3-tert-butyl-1-ethyl-1-propan-2-ylurea has a molecular weight of 186.30 g/mol, XLogP of 2.22, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-1-ethyl-1-propan-2-ylurea is sourced from PubChem (CID 115585495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).