1-(2-ethylbutyl)-3-propan-2-ylurea

C10H22N2O — CID 84528098

IUPAC1-(2-ethylbutyl)-3-propan-2-ylurea
SMILESCCC(CC)CNC(=O)NC(C)C
InChIInChI=1S/C10H22N2O/c1-5-9(6-2)7-11-10(13)12-8(3)4/h8-9H,5-7H2,1-4H3,(H2,11,12,13)
InChIKeyBUEVCIUKVPGZPO-UHFFFAOYSA-N
MW186.30 g/mol
LogP2.13
Rot. Bonds5

About 1-(2-ethylbutyl)-3-propan-2-ylurea

1-(2-ethylbutyl)-3-propan-2-ylurea (PubChem CID 84528098) has the molecular formula C10H22N2O and a molecular weight of 186.30 g/mol. Its IUPAC name is 1-(2-ethylbutyl)-3-propan-2-ylurea.

Molecular Properties

Compound Name1-(2-ethylbutyl)-3-propan-2-ylurea
PubChem CID84528098
Molecular FormulaC10H22N2O
Molecular Weight186.30 g/mol
Exact Mass186.17
IUPAC Name1-(2-ethylbutyl)-3-propan-2-ylurea
SMILESCCC(CC)CNC(=O)NC(C)C
InChIInChI=1S/C10H22N2O/c1-5-9(6-2)7-11-10(13)12-8(3)4/h8-9H,5-7H2,1-4H3,(H2,11,12,13)
InChIKeyBUEVCIUKVPGZPO-UHFFFAOYSA-N
XLogP2.13
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-ethylhexyl)-3-propan-2-ylurea
CID 78858171
1-(2,2-difluoroethyl)-3-propan-2-ylurea
CID 87414397
(2R)-2-(2-ethylbutylcarbamoylamino)butanedioic acid
CID 104874054
ethane;1-ethyl-3-propan-2-ylurea
CID 156793066
2-(2-ethylbutylcarbamoylamino)pentanoic acid
CID 82927206
1-propan-2-yl-3-(2,3,3-trimethylbutyl)urea
CID 115629659
3-[[2-(dimethylamino)propylcarbamoylamino]methyl]pentanoic acid
CID 81069957
3-[[N-(2-ethylbutyl)-N'-methylcarbamimidoyl]amino]-N-propan-2-ylpropanamide
CID 111891029
3-[(3-methylbutylcarbamoylamino)methyl]pentanoic acid
CID 81072494
1-hexyl-3-propan-2-ylurea
CID 23264656
1-(2-aminoethyl)-3-propan-2-ylurea
CID 13030915
1-propan-2-yl-3-prop-2-ynylurea
CID 14344955

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylbutyl)-3-propan-2-ylurea?
The IUPAC name of 1-(2-ethylbutyl)-3-propan-2-ylurea (CID 84528098) is 1-(2-ethylbutyl)-3-propan-2-ylurea.
What is the SMILES notation for 1-(2-ethylbutyl)-3-propan-2-ylurea?
The canonical SMILES for 1-(2-ethylbutyl)-3-propan-2-ylurea is CCC(CC)CNC(=O)NC(C)C.
What is the InChIKey of 1-(2-ethylbutyl)-3-propan-2-ylurea?
The InChIKey is BUEVCIUKVPGZPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O/c1-5-9(6-2)7-11-10(13)12-8(3)4/h8-9H,5-7H2,1-4H3,(H2,11,12,13).
What are the key properties of 1-(2-ethylbutyl)-3-propan-2-ylurea?
1-(2-ethylbutyl)-3-propan-2-ylurea has a molecular weight of 186.30 g/mol, XLogP of 2.13, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylbutyl)-3-propan-2-ylurea is sourced from PubChem (CID 84528098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).