1-(1-hydroxypentan-3-yl)-3-[1-(oxolan-2-yl)ethyl]urea

C12H24N2O3 — CID 111454546

IUPAC1-(1-hydroxypentan-3-yl)-3-[1-(oxolan-2-yl)ethyl]urea
SMILESCCC(CCO)NC(=O)NC(C)C1CCCO1
InChIInChI=1S/C12H24N2O3/c1-3-10(6-7-15)14-12(16)13-9(2)11-5-4-8-17-11/h9-11,15H,3-8H2,1-2H3,(H2,13,14,16)
InChIKeyUBMXRFPKMPVBOM-UHFFFAOYSA-N
MW244.33 g/mol
LogP1.01
Rot. Bonds6

About 1-(1-hydroxypentan-3-yl)-3-[1-(oxolan-2-yl)ethyl]urea

1-(1-hydroxypentan-3-yl)-3-[1-(oxolan-2-yl)ethyl]urea (PubChem CID 111454546) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is 1-(1-hydroxypentan-3-yl)-3-[1-(oxolan-2-yl)ethyl]urea.

Molecular Properties

Compound Name1-(1-hydroxypentan-3-yl)-3-[1-(oxolan-2-yl)ethyl]urea
PubChem CID111454546
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC Name1-(1-hydroxypentan-3-yl)-3-[1-(oxolan-2-yl)ethyl]urea
SMILESCCC(CCO)NC(=O)NC(C)C1CCCO1
InChIInChI=1S/C12H24N2O3/c1-3-10(6-7-15)14-12(16)13-9(2)11-5-4-8-17-11/h9-11,15H,3-8H2,1-2H3,(H2,13,14,16)
InChIKeyUBMXRFPKMPVBOM-UHFFFAOYSA-N
XLogP1.01
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 51.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-hydroxy-4-methylpentan-3-yl)-3-[1-(oxolan-2-yl)ethyl]urea
CID 111504834
1-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-[1-(oxolan-2-yl)ethyl]urea
CID 91661831
1-cyclohexyl-3-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]urea
CID 27450560
(2S,3S)-2-amino-3-methyl-N-[1-(oxolan-2-yl)ethyl]pentanamide
CID 61155055
1-[1-(oxolan-2-yl)ethyl]-3-(4-phenylbutan-2-yl)urea
CID 134006695
2-hydroxy-N-[1-(oxan-2-yl)ethyl]acetamide
CID 130749825
ethyl 2-oxo-2-[1-(oxolan-2-yl)ethylamino]acetate
CID 60895927
1-[(2R)-2-methylsulfanylpropyl]-3-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]urea
CID 97087333
N-[1-(oxolan-2-yl)ethyl]cyclopropanecarboxamide
CID 17330465
1-[1-(1-cyclobutylpiperidin-3-yl)ethyl]-3-(1-hydroxypentan-3-yl)urea
CID 110028309
4-amino-2-methyl-N-[1-(oxolan-2-yl)ethyl]butanamide
CID 80542445
2-[[2-[1-(oxolan-2-yl)ethylcarbamoylamino]acetyl]amino]acetic acid
CID 61198700

Frequently Asked Questions

What is the IUPAC name of 1-(1-hydroxypentan-3-yl)-3-[1-(oxolan-2-yl)ethyl]urea?
The IUPAC name of 1-(1-hydroxypentan-3-yl)-3-[1-(oxolan-2-yl)ethyl]urea (CID 111454546) is 1-(1-hydroxypentan-3-yl)-3-[1-(oxolan-2-yl)ethyl]urea.
What is the SMILES notation for 1-(1-hydroxypentan-3-yl)-3-[1-(oxolan-2-yl)ethyl]urea?
The canonical SMILES for 1-(1-hydroxypentan-3-yl)-3-[1-(oxolan-2-yl)ethyl]urea is CCC(CCO)NC(=O)NC(C)C1CCCO1.
What is the InChIKey of 1-(1-hydroxypentan-3-yl)-3-[1-(oxolan-2-yl)ethyl]urea?
The InChIKey is UBMXRFPKMPVBOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3/c1-3-10(6-7-15)14-12(16)13-9(2)11-5-4-8-17-11/h9-11,15H,3-8H2,1-2H3,(H2,13,14,16).
What are the key properties of 1-(1-hydroxypentan-3-yl)-3-[1-(oxolan-2-yl)ethyl]urea?
1-(1-hydroxypentan-3-yl)-3-[1-(oxolan-2-yl)ethyl]urea has a molecular weight of 244.33 g/mol, XLogP of 1.01, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-hydroxypentan-3-yl)-3-[1-(oxolan-2-yl)ethyl]urea is sourced from PubChem (CID 111454546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).