1,1-diethyl-3-(2-hydroxy-3-methylbutyl)urea

C10H22N2O2 — CID 115755100

IUPAC1,1-diethyl-3-(2-hydroxy-3-methylbutyl)urea
SMILESCCN(CC)C(=O)NCC(O)C(C)C
InChIInChI=1S/C10H22N2O2/c1-5-12(6-2)10(14)11-7-9(13)8(3)4/h8-9,13H,5-7H2,1-4H3,(H,11,14)
InChIKeyRKJYOAIUSWOTJN-UHFFFAOYSA-N
MW202.30 g/mol
LogP1.05
Rot. Bonds5

About 1,1-diethyl-3-(2-hydroxy-3-methylbutyl)urea

1,1-diethyl-3-(2-hydroxy-3-methylbutyl)urea (PubChem CID 115755100) has the molecular formula C10H22N2O2 and a molecular weight of 202.30 g/mol. Its IUPAC name is 1,1-diethyl-3-(2-hydroxy-3-methylbutyl)urea.

Molecular Properties

Compound Name1,1-diethyl-3-(2-hydroxy-3-methylbutyl)urea
PubChem CID115755100
Molecular FormulaC10H22N2O2
Molecular Weight202.30 g/mol
Exact Mass202.17
IUPAC Name1,1-diethyl-3-(2-hydroxy-3-methylbutyl)urea
SMILESCCN(CC)C(=O)NCC(O)C(C)C
InChIInChI=1S/C10H22N2O2/c1-5-12(6-2)10(14)11-7-9(13)8(3)4/h8-9,13H,5-7H2,1-4H3,(H,11,14)
InChIKeyRKJYOAIUSWOTJN-UHFFFAOYSA-N
XLogP1.05
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1,1-diethyl-3-[(2R)-2-hydroxypropyl]urea
CID 83030843
1,1-diethyl-3-(4-hydroxy-2-methylpentyl)urea
CID 71911296
1,1-diethyl-3-[(2R,4S)-4-hydroxy-2-methylpentyl]urea
CID 97099381
3-(3-amino-2-methylpropyl)-1,1-diethylurea
CID 79154789
N-(2-hydroxy-3-methylbutyl)propanamide
CID 115701495
2-(dimethylamino)-N-(2-hydroxy-3-methylbutyl)acetamide
CID 115744584
1,1-diethyl-3-(3-hydroxybutyl)urea
CID 79161473
(2-hydroxy-3-methylbutyl)carbamic acid
CID 135330394
5-(diethylcarbamoylamino)-4-methylpentanoic acid
CID 82684112
2-[[[ethyl(propyl)carbamoyl]amino]methyl]-3-methylbutanoic acid
CID 65218574
ethyl N-(2-hydroxy-3-methylbutyl)carbamate
CID 112702713
4-[[ethyl(2-methylpropyl)carbamoyl]amino]-3-methylbutanoic acid
CID 81069914

Frequently Asked Questions

What is the IUPAC name of 1,1-diethyl-3-(2-hydroxy-3-methylbutyl)urea?
The IUPAC name of 1,1-diethyl-3-(2-hydroxy-3-methylbutyl)urea (CID 115755100) is 1,1-diethyl-3-(2-hydroxy-3-methylbutyl)urea.
What is the SMILES notation for 1,1-diethyl-3-(2-hydroxy-3-methylbutyl)urea?
The canonical SMILES for 1,1-diethyl-3-(2-hydroxy-3-methylbutyl)urea is CCN(CC)C(=O)NCC(O)C(C)C.
What is the InChIKey of 1,1-diethyl-3-(2-hydroxy-3-methylbutyl)urea?
The InChIKey is RKJYOAIUSWOTJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O2/c1-5-12(6-2)10(14)11-7-9(13)8(3)4/h8-9,13H,5-7H2,1-4H3,(H,11,14).
What are the key properties of 1,1-diethyl-3-(2-hydroxy-3-methylbutyl)urea?
1,1-diethyl-3-(2-hydroxy-3-methylbutyl)urea has a molecular weight of 202.30 g/mol, XLogP of 1.05, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diethyl-3-(2-hydroxy-3-methylbutyl)urea is sourced from PubChem (CID 115755100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).