1,1-diethyl-3-(3-hydroxybutyl)urea

C9H20N2O2 — CID 79161473

IUPAC1,1-diethyl-3-(3-hydroxybutyl)urea
SMILESCCN(CC)C(=O)NCCC(C)O
InChIInChI=1S/C9H20N2O2/c1-4-11(5-2)9(13)10-7-6-8(3)12/h8,12H,4-7H2,1-3H3,(H,10,13)
InChIKeyFWMWQQIIMKGTBT-UHFFFAOYSA-N
MW188.27 g/mol
LogP0.81
Rot. Bonds5

About 1,1-diethyl-3-(3-hydroxybutyl)urea

1,1-diethyl-3-(3-hydroxybutyl)urea (PubChem CID 79161473) has the molecular formula C9H20N2O2 and a molecular weight of 188.27 g/mol. Its IUPAC name is 1,1-diethyl-3-(3-hydroxybutyl)urea.

Molecular Properties

Compound Name1,1-diethyl-3-(3-hydroxybutyl)urea
PubChem CID79161473
Molecular FormulaC9H20N2O2
Molecular Weight188.27 g/mol
Exact Mass188.15
IUPAC Name1,1-diethyl-3-(3-hydroxybutyl)urea
SMILESCCN(CC)C(=O)NCCC(C)O
InChIInChI=1S/C9H20N2O2/c1-4-11(5-2)9(13)10-7-6-8(3)12/h8,12H,4-7H2,1-3H3,(H,10,13)
InChIKeyFWMWQQIIMKGTBT-UHFFFAOYSA-N
XLogP0.81
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1,1-diethyl-3-[(2R)-2-hydroxypropyl]urea
CID 83030843
2-[ethyl(3-methylbutylcarbamoyl)amino]acetic acid
CID 61184764
4-[[ethyl(2-methylpropyl)carbamoyl]amino]-2-hydroxybutanoic acid
CID 107838341
1,1-diethyl-3-(4-hydroxy-2-methylpentyl)urea
CID 71911296
N-[2-(diethylcarbamoylamino)ethyl]-3-methylbutanamide
CID 108570927
1,1-diethyl-3-[(2R,4S)-4-hydroxy-2-methylpentyl]urea
CID 97099381
3-[ethyl(3-methylbutylcarbamoyl)amino]-2-methylpropanoic acid
CID 62852278
N-[2-(diethylcarbamoylamino)ethyl]-2-ethylbutanamide
CID 108573873
1,1-diethyl-3-(2-hydroxy-3-methylbutyl)urea
CID 115755100
4-[[butyl(ethyl)carbamoyl]amino]-2-methylbutanoic acid
CID 80540676
N-butan-2-yl-3-(diethylcarbamoylamino)propanamide
CID 115589357
3-[ethyl(3-methylsulfanylbutylcarbamoyl)amino]-2-methylpropanoic acid
CID 113494161

Frequently Asked Questions

What is the IUPAC name of 1,1-diethyl-3-(3-hydroxybutyl)urea?
The IUPAC name of 1,1-diethyl-3-(3-hydroxybutyl)urea (CID 79161473) is 1,1-diethyl-3-(3-hydroxybutyl)urea.
What is the SMILES notation for 1,1-diethyl-3-(3-hydroxybutyl)urea?
The canonical SMILES for 1,1-diethyl-3-(3-hydroxybutyl)urea is CCN(CC)C(=O)NCCC(C)O.
What is the InChIKey of 1,1-diethyl-3-(3-hydroxybutyl)urea?
The InChIKey is FWMWQQIIMKGTBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O2/c1-4-11(5-2)9(13)10-7-6-8(3)12/h8,12H,4-7H2,1-3H3,(H,10,13).
What are the key properties of 1,1-diethyl-3-(3-hydroxybutyl)urea?
1,1-diethyl-3-(3-hydroxybutyl)urea has a molecular weight of 188.27 g/mol, XLogP of 0.81, 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-(3-hydroxybutyl)urea is sourced from PubChem (CID 79161473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).