1-ethyl-1-(2-ethylbutyl)-3,3-dimethylurea

C11H24N2O — CID 115589057

IUPAC1-ethyl-1-(2-ethylbutyl)-3,3-dimethylurea
SMILESCCC(CC)CN(CC)C(=O)N(C)C
InChIInChI=1S/C11H24N2O/c1-6-10(7-2)9-13(8-3)11(14)12(4)5/h10H,6-9H2,1-5H3
InChIKeyWQYOEOOTPNVUHM-UHFFFAOYSA-N
MW200.33 g/mol
LogP2.43
Rot. Bonds5

About 1-ethyl-1-(2-ethylbutyl)-3,3-dimethylurea

1-ethyl-1-(2-ethylbutyl)-3,3-dimethylurea (PubChem CID 115589057) has the molecular formula C11H24N2O and a molecular weight of 200.33 g/mol. Its IUPAC name is 1-ethyl-1-(2-ethylbutyl)-3,3-dimethylurea.

Molecular Properties

Compound Name1-ethyl-1-(2-ethylbutyl)-3,3-dimethylurea
PubChem CID115589057
Molecular FormulaC11H24N2O
Molecular Weight200.33 g/mol
Exact Mass200.19
IUPAC Name1-ethyl-1-(2-ethylbutyl)-3,3-dimethylurea
SMILESCCC(CC)CN(CC)C(=O)N(C)C
InChIInChI=1S/C11H24N2O/c1-6-10(7-2)9-13(8-3)11(14)12(4)5/h10H,6-9H2,1-5H3
InChIKeyWQYOEOOTPNVUHM-UHFFFAOYSA-N
XLogP2.43
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.33
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-[ethyl-[ethyl(2-ethylbutyl)carbamoyl]amino]acetic acid
CID 61437536
N-ethyl-N-(2-ethylbutyl)-2,2-dimethylpropanamide
CID 62735136
N-ethyl-N-(2-ethylbutyl)-2,2,2-trifluoroacetamide
CID 62491296
2-[butan-2-yl-[ethyl(2-ethylbutyl)carbamoyl]amino]acetic acid
CID 61437486
3-amino-1-ethyl-1-(2-ethylbutyl)urea
CID 61438084
(2R)-2-amino-N-ethyl-N-(2-ethylbutyl)propanamide
CID 78972081
2-[[ethyl(2-ethylbutyl)carbamoyl]-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79263920
5-bromo-N-ethyl-N-(2-ethylbutyl)pentanamide
CID 107908425
1-ethyl-1-(2-ethylbutyl)-3-propylurea
CID 115583094
(2R)-2-amino-N-ethyl-N-(2-ethylbutyl)pentanamide
CID 103795380
6-[ethyl(2-ethylbutyl)amino]-6-oxohexanoic acid
CID 43588237
N-ethyl-2-(ethylamino)-N-(2-ethylbutyl)-2-methylpropanamide
CID 62832682

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-1-(2-ethylbutyl)-3,3-dimethylurea?
The IUPAC name of 1-ethyl-1-(2-ethylbutyl)-3,3-dimethylurea (CID 115589057) is 1-ethyl-1-(2-ethylbutyl)-3,3-dimethylurea.
What is the SMILES notation for 1-ethyl-1-(2-ethylbutyl)-3,3-dimethylurea?
The canonical SMILES for 1-ethyl-1-(2-ethylbutyl)-3,3-dimethylurea is CCC(CC)CN(CC)C(=O)N(C)C.
What is the InChIKey of 1-ethyl-1-(2-ethylbutyl)-3,3-dimethylurea?
The InChIKey is WQYOEOOTPNVUHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O/c1-6-10(7-2)9-13(8-3)11(14)12(4)5/h10H,6-9H2,1-5H3.
What are the key properties of 1-ethyl-1-(2-ethylbutyl)-3,3-dimethylurea?
1-ethyl-1-(2-ethylbutyl)-3,3-dimethylurea has a molecular weight of 200.33 g/mol, XLogP of 2.43, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-1-(2-ethylbutyl)-3,3-dimethylurea is sourced from PubChem (CID 115589057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).