1-cyclopropyl-1-(2-methylpropyl)-3-(oxolan-3-yl)urea

C12H22N2O2 — CID 115760645

IUPAC1-cyclopropyl-1-(2-methylpropyl)-3-(oxolan-3-yl)urea
SMILESCC(C)CN(C(=O)NC1CCOC1)C1CC1
InChIInChI=1S/C12H22N2O2/c1-9(2)7-14(11-3-4-11)12(15)13-10-5-6-16-8-10/h9-11H,3-8H2,1-2H3,(H,13,15)
InChIKeyYDHPLSCIXMMOEB-UHFFFAOYSA-N
MW226.32 g/mol
LogP1.61
Rot. Bonds4

About 1-cyclopropyl-1-(2-methylpropyl)-3-(oxolan-3-yl)urea

1-cyclopropyl-1-(2-methylpropyl)-3-(oxolan-3-yl)urea (PubChem CID 115760645) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 1-cyclopropyl-1-(2-methylpropyl)-3-(oxolan-3-yl)urea.

Molecular Properties

Compound Name1-cyclopropyl-1-(2-methylpropyl)-3-(oxolan-3-yl)urea
PubChem CID115760645
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name1-cyclopropyl-1-(2-methylpropyl)-3-(oxolan-3-yl)urea
SMILESCC(C)CN(C(=O)NC1CCOC1)C1CC1
InChIInChI=1S/C12H22N2O2/c1-9(2)7-14(11-3-4-11)12(15)13-10-5-6-16-8-10/h9-11H,3-8H2,1-2H3,(H,13,15)
InChIKeyYDHPLSCIXMMOEB-UHFFFAOYSA-N
XLogP1.61
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclopropyl-1-ethyl-3-(oxolan-3-yl)urea
CID 115760678
1-cyclopentyl-3-cyclopropyl-1-(2-methylpropyl)urea
CID 115597168
1-cyclopropyl-1-methyl-3-(oxolan-3-yl)urea
CID 115760744
1,1-dimethyl-3-(oxolan-3-yl)urea
CID 110868817
1-butan-2-yl-1-ethyl-3-(oxolan-3-yl)urea
CID 116654204
3-methyl-N-[(3R)-oxolan-3-yl]butanamide
CID 176873242
1-(cyclopropylmethyl)-3-(oxolan-3-yl)-1-propan-2-ylurea
CID 116654988
1-cyclobutyl-1-methyl-3-(oxolan-3-yl)urea
CID 115760727
1-cyclopropyl-3-(oxolan-3-yl)-1-(piperidin-2-ylmethyl)urea
CID 106629708
1-(1-cyclopropylethyl)-3-(oxolan-3-yl)urea
CID 115758248
1-but-3-en-2-yl-3-(oxolan-3-yl)urea
CID 115759178
(2R)-N-[(3S)-oxolan-3-yl]-2-propan-2-ylpentanamide
CID 97329335

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-1-(2-methylpropyl)-3-(oxolan-3-yl)urea?
The IUPAC name of 1-cyclopropyl-1-(2-methylpropyl)-3-(oxolan-3-yl)urea (CID 115760645) is 1-cyclopropyl-1-(2-methylpropyl)-3-(oxolan-3-yl)urea.
What is the SMILES notation for 1-cyclopropyl-1-(2-methylpropyl)-3-(oxolan-3-yl)urea?
The canonical SMILES for 1-cyclopropyl-1-(2-methylpropyl)-3-(oxolan-3-yl)urea is CC(C)CN(C(=O)NC1CCOC1)C1CC1.
What is the InChIKey of 1-cyclopropyl-1-(2-methylpropyl)-3-(oxolan-3-yl)urea?
The InChIKey is YDHPLSCIXMMOEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-9(2)7-14(11-3-4-11)12(15)13-10-5-6-16-8-10/h9-11H,3-8H2,1-2H3,(H,13,15).
What are the key properties of 1-cyclopropyl-1-(2-methylpropyl)-3-(oxolan-3-yl)urea?
1-cyclopropyl-1-(2-methylpropyl)-3-(oxolan-3-yl)urea has a molecular weight of 226.32 g/mol, XLogP of 1.61, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-1-(2-methylpropyl)-3-(oxolan-3-yl)urea is sourced from PubChem (CID 115760645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).