1,1-diethyl-3-[(2R,4S)-4-hydroxy-2-methylpentyl]urea

C11H24N2O2 — CID 97099381

IUPAC1,1-diethyl-3-[(2R,4S)-4-hydroxy-2-methylpentyl]urea
SMILESCCN(CC)C(=O)NC[C@H](C)C[C@H](C)O
InChIInChI=1S/C11H24N2O2/c1-5-13(6-2)11(15)12-8-9(3)7-10(4)14/h9-10,14H,5-8H2,1-4H3,(H,12,15)/t9-,10+/m1/s1
InChIKeyLGNGMCGSKZEOGT-ZJUUUORDSA-N
MW216.32 g/mol
LogP1.44
Rot. Bonds6

About 1,1-diethyl-3-[(2R,4S)-4-hydroxy-2-methylpentyl]urea

1,1-diethyl-3-[(2R,4S)-4-hydroxy-2-methylpentyl]urea (PubChem CID 97099381) has the molecular formula C11H24N2O2 and a molecular weight of 216.32 g/mol. Its IUPAC name is 1,1-diethyl-3-[(2R,4S)-4-hydroxy-2-methylpentyl]urea.

Molecular Properties

Compound Name1,1-diethyl-3-[(2R,4S)-4-hydroxy-2-methylpentyl]urea
PubChem CID97099381
Molecular FormulaC11H24N2O2
Molecular Weight216.32 g/mol
Exact Mass216.18
IUPAC Name1,1-diethyl-3-[(2R,4S)-4-hydroxy-2-methylpentyl]urea
SMILESCCN(CC)C(=O)NC[C@H](C)C[C@H](C)O
InChIInChI=1S/C11H24N2O2/c1-5-13(6-2)11(15)12-8-9(3)7-10(4)14/h9-10,14H,5-8H2,1-4H3,(H,12,15)/t9-,10+/m1/s1
InChIKeyLGNGMCGSKZEOGT-ZJUUUORDSA-N
XLogP1.44
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 51.44
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)-2-hydroxypropyl]urea
CID 83030843
3-(3-amino-2-methylpropyl)-1,1-diethylurea
CID 79154789
5-(diethylcarbamoylamino)-4-methylpentanoic acid
CID 82684112
1,1-diethyl-3-(2-hydroxy-3-methylbutyl)urea
CID 115755100
1,1-diethyl-3-(3-hydroxybutyl)urea
CID 79161473
4-[[ethyl(2-methylpropyl)carbamoyl]amino]-3-methylbutanoic acid
CID 81069914
2,2,2-trifluoro-N-(4-hydroxy-2-methylpentyl)acetamide
CID 130901653
5-[[[2-(dimethylamino)-2-oxoethyl]-ethylcarbamoyl]amino]-4-methylpentanoic acid
CID 82689316
2-amino-N-(4-hydroxy-2-methylpentyl)-3-methylpentanamide;hydrochloride
CID 119799959
2-(azepan-1-yl)-N-(4-hydroxy-2-methylpentyl)propanamide
CID 71984047
(2S)-2-(azepan-1-yl)-N-[(2R,4S)-4-hydroxy-2-methylpentyl]propanamide
CID 129378274

Frequently Asked Questions

What is the IUPAC name of 1,1-diethyl-3-[(2R,4S)-4-hydroxy-2-methylpentyl]urea?
The IUPAC name of 1,1-diethyl-3-[(2R,4S)-4-hydroxy-2-methylpentyl]urea (CID 97099381) is 1,1-diethyl-3-[(2R,4S)-4-hydroxy-2-methylpentyl]urea.
What is the SMILES notation for 1,1-diethyl-3-[(2R,4S)-4-hydroxy-2-methylpentyl]urea?
The canonical SMILES for 1,1-diethyl-3-[(2R,4S)-4-hydroxy-2-methylpentyl]urea is CCN(CC)C(=O)NC[C@H](C)C[C@H](C)O.
What is the InChIKey of 1,1-diethyl-3-[(2R,4S)-4-hydroxy-2-methylpentyl]urea?
The InChIKey is LGNGMCGSKZEOGT-ZJUUUORDSA-N. The full InChI is InChI=1S/C11H24N2O2/c1-5-13(6-2)11(15)12-8-9(3)7-10(4)14/h9-10,14H,5-8H2,1-4H3,(H,12,15)/t9-,10+/m1/s1.
What are the key properties of 1,1-diethyl-3-[(2R,4S)-4-hydroxy-2-methylpentyl]urea?
1,1-diethyl-3-[(2R,4S)-4-hydroxy-2-methylpentyl]urea has a molecular weight of 216.32 g/mol, XLogP of 1.44, 6 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,4S)-4-hydroxy-2-methylpentyl]urea is sourced from PubChem (CID 97099381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).