1-ethyl-1-(2-ethylbutyl)-3-propylurea

C12H26N2O — CID 115583094

IUPAC1-ethyl-1-(2-ethylbutyl)-3-propylurea
SMILESCCCNC(=O)N(CC)CC(CC)CC
InChIInChI=1S/C12H26N2O/c1-5-9-13-12(15)14(8-4)10-11(6-2)7-3/h11H,5-10H2,1-4H3,(H,13,15)
InChIKeySBYDCGLGYODVNN-UHFFFAOYSA-N
MW214.35 g/mol
LogP2.86
Rot. Bonds7

About 1-ethyl-1-(2-ethylbutyl)-3-propylurea

1-ethyl-1-(2-ethylbutyl)-3-propylurea (PubChem CID 115583094) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is 1-ethyl-1-(2-ethylbutyl)-3-propylurea.

Molecular Properties

Compound Name1-ethyl-1-(2-ethylbutyl)-3-propylurea
PubChem CID115583094
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC Name1-ethyl-1-(2-ethylbutyl)-3-propylurea
SMILESCCCNC(=O)N(CC)CC(CC)CC
InChIInChI=1S/C12H26N2O/c1-5-9-13-12(15)14(8-4)10-11(6-2)7-3/h11H,5-10H2,1-4H3,(H,13,15)
InChIKeySBYDCGLGYODVNN-UHFFFAOYSA-N
XLogP2.86
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-amino-1-ethyl-1-(2-ethylbutyl)urea
CID 61438084
3-[ethyl(propylcarbamoyl)amino]propanoic acid
CID 61007804
1-ethyl-3-propyl-1-prop-2-ynylurea
CID 78970040
3-[ethyl-[[2-oxo-2-(propylamino)ethyl]carbamoyl]amino]-2-methylpropanoic acid
CID 55123161
N-[2-(diethylcarbamoylamino)ethyl]-2-ethylbutanamide
CID 108573873
2-(diethylcarbamoylamino)-N-propylacetamide
CID 115575868
(2S)-2-[[ethyl(2-ethylbutyl)carbamoyl]amino]-3-methylbutanoic acid
CID 61438075
1-(cyclopropylmethyl)-1-ethyl-3-propylurea
CID 115622668
1-ethyl-1-(2-ethylbutyl)-3,3-dimethylurea
CID 115589057
2-[[ethyl(2-ethylbutyl)carbamoyl]amino]-3-hydroxybutanoic acid
CID 61437732
2-[[ethyl(2-ethylbutyl)carbamoyl]amino]-4-methylpentanoic acid
CID 61437733
N-ethyl-N-(2-ethylbutyl)-2,2,2-trifluoroacetamide
CID 62491296

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-1-(2-ethylbutyl)-3-propylurea?
The IUPAC name of 1-ethyl-1-(2-ethylbutyl)-3-propylurea (CID 115583094) is 1-ethyl-1-(2-ethylbutyl)-3-propylurea.
What is the SMILES notation for 1-ethyl-1-(2-ethylbutyl)-3-propylurea?
The canonical SMILES for 1-ethyl-1-(2-ethylbutyl)-3-propylurea is CCCNC(=O)N(CC)CC(CC)CC.
What is the InChIKey of 1-ethyl-1-(2-ethylbutyl)-3-propylurea?
The InChIKey is SBYDCGLGYODVNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-5-9-13-12(15)14(8-4)10-11(6-2)7-3/h11H,5-10H2,1-4H3,(H,13,15).
What are the key properties of 1-ethyl-1-(2-ethylbutyl)-3-propylurea?
1-ethyl-1-(2-ethylbutyl)-3-propylurea has a molecular weight of 214.35 g/mol, XLogP of 2.86, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-1-(2-ethylbutyl)-3-propylurea is sourced from PubChem (CID 115583094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).