1-(2,2-dimethylpropyl)-3-[2-(1,3-dioxan-2-yl)ethyl]urea

C12H24N2O3 — CID 110669285

IUPAC1-(2,2-dimethylpropyl)-3-[2-(1,3-dioxan-2-yl)ethyl]urea
SMILESCC(C)(C)CNC(=O)NCCC1OCCCO1
InChIInChI=1S/C12H24N2O3/c1-12(2,3)9-14-11(15)13-6-5-10-16-7-4-8-17-10/h10H,4-9H2,1-3H3,(H2,13,14,15)
InChIKeyGIUDLWBUHWUFLT-UHFFFAOYSA-N
MW244.33 g/mol
LogP1.48
Rot. Bonds4

About 1-(2,2-dimethylpropyl)-3-[2-(1,3-dioxan-2-yl)ethyl]urea

1-(2,2-dimethylpropyl)-3-[2-(1,3-dioxan-2-yl)ethyl]urea (PubChem CID 110669285) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is 1-(2,2-dimethylpropyl)-3-[2-(1,3-dioxan-2-yl)ethyl]urea.

Molecular Properties

Compound Name1-(2,2-dimethylpropyl)-3-[2-(1,3-dioxan-2-yl)ethyl]urea
PubChem CID110669285
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC Name1-(2,2-dimethylpropyl)-3-[2-(1,3-dioxan-2-yl)ethyl]urea
SMILESCC(C)(C)CNC(=O)NCCC1OCCCO1
InChIInChI=1S/C12H24N2O3/c1-12(2,3)9-14-11(15)13-6-5-10-16-7-4-8-17-10/h10H,4-9H2,1-3H3,(H2,13,14,15)
InChIKeyGIUDLWBUHWUFLT-UHFFFAOYSA-N
XLogP1.48
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-(2,2-dimethylpropyl)oxolane-2-carboxamide
CID 130748456
N-(2,2-dimethylpropyl)oxolane-2-carboxamide
CID 21060492
1-(3-aminopropyl)-3-(2,2-dimethylpropyl)urea
CID 117235686
1-cyclobutyl-3-(2,2-dimethylpropyl)urea
CID 115617999
N-[2-(1,3-dioxan-2-yl)ethyl]-3,5-dimethoxybenzamide
CID 110370070
1-(2,2-dimethylpropyl)-3-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]urea
CID 110746783
4-[(2,2-dimethylpropylcarbamoylamino)methyl]oxane-4-carboxylic acid
CID 115440388
2-chloro-N-[2-(1,3-dioxolan-2-yl)ethyl]acetamide
CID 19032062
1,3-bis(2-cyclopropylethyl)urea
CID 68635931
3-[2-(1,3-dioxolan-2-yl)ethyl]-1,1-diethylurea
CID 110369964
1-(2-methylprop-2-enyl)-3-[2-(oxolan-2-yl)ethyl]urea
CID 91661489
N-[2-(1,3-dioxan-2-yl)ethyl]-2-fluorobenzamide
CID 110370059

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylpropyl)-3-[2-(1,3-dioxan-2-yl)ethyl]urea?
The IUPAC name of 1-(2,2-dimethylpropyl)-3-[2-(1,3-dioxan-2-yl)ethyl]urea (CID 110669285) is 1-(2,2-dimethylpropyl)-3-[2-(1,3-dioxan-2-yl)ethyl]urea.
What is the SMILES notation for 1-(2,2-dimethylpropyl)-3-[2-(1,3-dioxan-2-yl)ethyl]urea?
The canonical SMILES for 1-(2,2-dimethylpropyl)-3-[2-(1,3-dioxan-2-yl)ethyl]urea is CC(C)(C)CNC(=O)NCCC1OCCCO1.
What is the InChIKey of 1-(2,2-dimethylpropyl)-3-[2-(1,3-dioxan-2-yl)ethyl]urea?
The InChIKey is GIUDLWBUHWUFLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3/c1-12(2,3)9-14-11(15)13-6-5-10-16-7-4-8-17-10/h10H,4-9H2,1-3H3,(H2,13,14,15).
What are the key properties of 1-(2,2-dimethylpropyl)-3-[2-(1,3-dioxan-2-yl)ethyl]urea?
1-(2,2-dimethylpropyl)-3-[2-(1,3-dioxan-2-yl)ethyl]urea has a molecular weight of 244.33 g/mol, XLogP of 1.48, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylpropyl)-3-[2-(1,3-dioxan-2-yl)ethyl]urea is sourced from PubChem (CID 110669285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).