1-(oxolan-2-ylmethyl)-3-propan-2-ylurea

C9H18N2O2 — CID 23789900

IUPAC1-(oxolan-2-ylmethyl)-3-propan-2-ylurea
SMILESCC(C)NC(=O)NCC1CCCO1
InChIInChI=1S/C9H18N2O2/c1-7(2)11-9(12)10-6-8-4-3-5-13-8/h7-8H,3-6H2,1-2H3,(H2,10,11,12)
InChIKeyUBZHNYDWBKBZEU-UHFFFAOYSA-N
MW186.25 g/mol
LogP0.87
Rot. Bonds3

About 1-(oxolan-2-ylmethyl)-3-propan-2-ylurea

1-(oxolan-2-ylmethyl)-3-propan-2-ylurea (PubChem CID 23789900) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is 1-(oxolan-2-ylmethyl)-3-propan-2-ylurea.

Molecular Properties

Compound Name1-(oxolan-2-ylmethyl)-3-propan-2-ylurea
PubChem CID23789900
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Name1-(oxolan-2-ylmethyl)-3-propan-2-ylurea
SMILESCC(C)NC(=O)NCC1CCCO1
InChIInChI=1S/C9H18N2O2/c1-7(2)11-9(12)10-6-8-4-3-5-13-8/h7-8H,3-6H2,1-2H3,(H2,10,11,12)
InChIKeyUBZHNYDWBKBZEU-UHFFFAOYSA-N
XLogP0.87
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-Cyclohexyl-3-(oxolan-2-ylmethyl)urea
CID 2886315
N-(tetrahydro-2-furanylmethyl)-N'-[2,2,2-trifluoro-1-methyl-1-(trifluoromethyl)ethyl]urea
CID 2968259
(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
(diethylamino)-N-(oxolan-2-ylmethyl)carboxamide
CID 2985186
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-Cyclopropyl-1-(2,2-difluoroethyl)-3-(oxolan-2-ylmethyl)urea
CID 72021508

Frequently Asked Questions

What is the IUPAC name of 1-(oxolan-2-ylmethyl)-3-propan-2-ylurea?
The IUPAC name of 1-(oxolan-2-ylmethyl)-3-propan-2-ylurea (CID 23789900) is 1-(oxolan-2-ylmethyl)-3-propan-2-ylurea.
What is the SMILES notation for 1-(oxolan-2-ylmethyl)-3-propan-2-ylurea?
The canonical SMILES for 1-(oxolan-2-ylmethyl)-3-propan-2-ylurea is CC(C)NC(=O)NCC1CCCO1.
What is the InChIKey of 1-(oxolan-2-ylmethyl)-3-propan-2-ylurea?
The InChIKey is UBZHNYDWBKBZEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-7(2)11-9(12)10-6-8-4-3-5-13-8/h7-8H,3-6H2,1-2H3,(H2,10,11,12).
What are the key properties of 1-(oxolan-2-ylmethyl)-3-propan-2-ylurea?
1-(oxolan-2-ylmethyl)-3-propan-2-ylurea has a molecular weight of 186.25 g/mol, XLogP of 0.87, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxolan-2-ylmethyl)-3-propan-2-ylurea is sourced from PubChem (CID 23789900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).