1,1-diethyl-3-(oxolan-2-ylmethyl)urea

C10H20N2O2 — CID 2985186

IUPAC1,1-diethyl-3-(oxolan-2-ylmethyl)urea
SMILESCCN(CC)C(=O)NCC1CCCO1
InChIInChI=1S/C10H20N2O2/c1-3-12(4-2)10(13)11-8-9-6-5-7-14-9/h9H,3-8H2,1-2H3,(H,11,13)
InChIKeyZPMUAPGAUCIILL-UHFFFAOYSA-N
MW200.28 g/mol
LogP1.22
Rot. Bonds4

About 1,1-diethyl-3-(oxolan-2-ylmethyl)urea

1,1-diethyl-3-(oxolan-2-ylmethyl)urea (PubChem CID 2985186) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is 1,1-diethyl-3-(oxolan-2-ylmethyl)urea.

Molecular Properties

Compound Name1,1-diethyl-3-(oxolan-2-ylmethyl)urea
PubChem CID2985186
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Name1,1-diethyl-3-(oxolan-2-ylmethyl)urea
SMILESCCN(CC)C(=O)NCC1CCCO1
InChIInChI=1S/C10H20N2O2/c1-3-12(4-2)10(13)11-8-9-6-5-7-14-9/h9H,3-8H2,1-2H3,(H,11,13)
InChIKeyZPMUAPGAUCIILL-UHFFFAOYSA-N
XLogP1.22
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclohexyl-N'-(tetrahydro-2-furanylmethyl)urea
CID 2886315
(Tetrahydro-furan-2-ylmethyl)-urea
CID 3680258
N-[(Oxolan-2-yl)methyl]morpholine-4-carboxamide
CID 3311551
1-cyclopentyl-3-[[(2~{S})-oxolan-2-yl]methyl]urea
CID 38154782
N-cyclopentyl-N'-{[(2R)-oxolan-2-yl]methyl}urea
CID 38154784
Methyl 4-(oxolan-2-ylmethylcarbamoylamino)piperidine-1-carboxylate
CID 47392783
N,N-diethyl-2-(oxolan-2-ylmethylcarbamoylamino)propanamide
CID 53625961
1-[2-(Dimethylamino)-4-methylpentyl]-3-(oxolan-2-ylmethyl)urea
CID 56813970
1-(2-Hydroxy-2-methylpropyl)-3-(oxolan-2-ylmethyl)-1-propan-2-ylurea
CID 71846056
1-Methyl-3-(2-methyl-2-methylsulfanylpropyl)-1-(oxolan-2-ylmethyl)urea
CID 71852258
1-Cyclopropyl-1-(2,2-difluoroethyl)-3-(oxolan-2-ylmethyl)urea
CID 72021508
1-(3,3-Dimethylbutan-2-yl)-3-(oxolan-2-ylmethyl)urea
CID 72136625

Frequently Asked Questions

What is the IUPAC name of 1,1-diethyl-3-(oxolan-2-ylmethyl)urea?
The IUPAC name of 1,1-diethyl-3-(oxolan-2-ylmethyl)urea (CID 2985186) is 1,1-diethyl-3-(oxolan-2-ylmethyl)urea.
What is the SMILES notation for 1,1-diethyl-3-(oxolan-2-ylmethyl)urea?
The canonical SMILES for 1,1-diethyl-3-(oxolan-2-ylmethyl)urea is CCN(CC)C(=O)NCC1CCCO1.
What is the InChIKey of 1,1-diethyl-3-(oxolan-2-ylmethyl)urea?
The InChIKey is ZPMUAPGAUCIILL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-3-12(4-2)10(13)11-8-9-6-5-7-14-9/h9H,3-8H2,1-2H3,(H,11,13).
What are the key properties of 1,1-diethyl-3-(oxolan-2-ylmethyl)urea?
1,1-diethyl-3-(oxolan-2-ylmethyl)urea has a molecular weight of 200.28 g/mol, XLogP of 1.22, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diethyl-3-(oxolan-2-ylmethyl)urea is sourced from PubChem (CID 2985186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).