1,1-diethyl-3-[(2R)-2-hydroxypropyl]urea

C8H18N2O2 — CID 83030843

IUPAC1,1-diethyl-3-[(2R)-2-hydroxypropyl]urea
SMILESCCN(CC)C(=O)NC[C@@H](C)O
InChIInChI=1S/C8H18N2O2/c1-4-10(5-2)8(12)9-6-7(3)11/h7,11H,4-6H2,1-3H3,(H,9,12)/t7-/m1/s1
InChIKeyQJCLKJUKXGZKII-SSDOTTSWSA-N
MW174.24 g/mol
LogP0.42
Rot. Bonds4

About 1,1-diethyl-3-[(2R)-2-hydroxypropyl]urea

1,1-diethyl-3-[(2R)-2-hydroxypropyl]urea (PubChem CID 83030843) has the molecular formula C8H18N2O2 and a molecular weight of 174.24 g/mol. Its IUPAC name is 1,1-diethyl-3-[(2R)-2-hydroxypropyl]urea.

Molecular Properties

Compound Name1,1-diethyl-3-[(2R)-2-hydroxypropyl]urea
PubChem CID83030843
Molecular FormulaC8H18N2O2
Molecular Weight174.24 g/mol
Exact Mass174.14
IUPAC Name1,1-diethyl-3-[(2R)-2-hydroxypropyl]urea
SMILESCCN(CC)C(=O)NC[C@@H](C)O
InChIInChI=1S/C8H18N2O2/c1-4-10(5-2)8(12)9-6-7(3)11/h7,11H,4-6H2,1-3H3,(H,9,12)/t7-/m1/s1
InChIKeyQJCLKJUKXGZKII-SSDOTTSWSA-N
XLogP0.42
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1,1-diethyl-3-(4-hydroxy-2-methylpentyl)urea
CID 71911296
1,1-diethyl-3-[(2R,4S)-4-hydroxy-2-methylpentyl]urea
CID 97099381
1,1-diethyl-3-(2-hydroxy-3-methylbutyl)urea
CID 115755100
1,1-diethyl-3-(3-hydroxybutyl)urea
CID 79161473
3-(3-amino-2-methylpropyl)-1,1-diethylurea
CID 79154789
3-[(2S)-2-hydroxypropyl]-1,1-dimethylurea
CID 83038984
5-(diethylcarbamoylamino)-4-methylpentanoic acid
CID 82684112
4-[[ethyl(2-methylpropyl)carbamoyl]amino]-3-methylbutanoic acid
CID 81069914
N-[2-(diethylcarbamoylamino)ethyl]-3-methylbutanamide
CID 108570927
N-[(2S)-2-hydroxypropyl]-3-methylpentanamide
CID 104982256
N-(2-hydroxypropyl)-3-methylpentanamide
CID 114875363
1,1-diethyl-3-[(2R)-2-hydroxy-2-(2-methylphenyl)ethyl]urea
CID 97239385

Frequently Asked Questions

What is the IUPAC name of 1,1-diethyl-3-[(2R)-2-hydroxypropyl]urea?
The IUPAC name of 1,1-diethyl-3-[(2R)-2-hydroxypropyl]urea (CID 83030843) is 1,1-diethyl-3-[(2R)-2-hydroxypropyl]urea.
What is the SMILES notation for 1,1-diethyl-3-[(2R)-2-hydroxypropyl]urea?
The canonical SMILES for 1,1-diethyl-3-[(2R)-2-hydroxypropyl]urea is CCN(CC)C(=O)NC[C@@H](C)O.
What is the InChIKey of 1,1-diethyl-3-[(2R)-2-hydroxypropyl]urea?
The InChIKey is QJCLKJUKXGZKII-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H18N2O2/c1-4-10(5-2)8(12)9-6-7(3)11/h7,11H,4-6H2,1-3H3,(H,9,12)/t7-/m1/s1.
What are the key properties of 1,1-diethyl-3-[(2R)-2-hydroxypropyl]urea?
1,1-diethyl-3-[(2R)-2-hydroxypropyl]urea has a molecular weight of 174.24 g/mol, XLogP of 0.42, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diethyl-3-[(2R)-2-hydroxypropyl]urea is sourced from PubChem (CID 83030843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).