1-(cyclopropylmethyl)-3-(oxolan-3-yl)-1-propan-2-ylurea

C12H22N2O2 — CID 116654988

IUPAC1-(cyclopropylmethyl)-3-(oxolan-3-yl)-1-propan-2-ylurea
SMILESCC(C)N(CC1CC1)C(=O)NC1CCOC1
InChIInChI=1S/C12H22N2O2/c1-9(2)14(7-10-3-4-10)12(15)13-11-5-6-16-8-11/h9-11H,3-8H2,1-2H3,(H,13,15)
InChIKeyDRGXTEVAEYXSFD-UHFFFAOYSA-N
MW226.32 g/mol
LogP1.61
Rot. Bonds4

About 1-(cyclopropylmethyl)-3-(oxolan-3-yl)-1-propan-2-ylurea

1-(cyclopropylmethyl)-3-(oxolan-3-yl)-1-propan-2-ylurea (PubChem CID 116654988) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-3-(oxolan-3-yl)-1-propan-2-ylurea.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-3-(oxolan-3-yl)-1-propan-2-ylurea
PubChem CID116654988
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name1-(cyclopropylmethyl)-3-(oxolan-3-yl)-1-propan-2-ylurea
SMILESCC(C)N(CC1CC1)C(=O)NC1CCOC1
InChIInChI=1S/C12H22N2O2/c1-9(2)14(7-10-3-4-10)12(15)13-11-5-6-16-8-11/h9-11H,3-8H2,1-2H3,(H,13,15)
InChIKeyDRGXTEVAEYXSFD-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-butan-2-yl-1-ethyl-3-(oxolan-3-yl)urea
CID 116654204
1,1-dimethyl-3-(oxolan-3-yl)urea
CID 110868817
1-cyclopropyl-1-(2-methylpropyl)-3-(oxolan-3-yl)urea
CID 115760645
3-[oxan-4-ylcarbamoyl(propan-2-yl)amino]propanoic acid
CID 61202946
3-cyclohexyl-1-(piperidin-4-ylmethyl)-1-propan-2-ylurea
CID 79720446
1-cyclopropyl-1-ethyl-3-(oxolan-3-yl)urea
CID 115760678
1-cyclopropyl-1-methyl-3-(oxolan-3-yl)urea
CID 115760744
3-methyl-N-[(3R)-oxolan-3-yl]butanamide
CID 176873242
1-cyclobutyl-1-methyl-3-(oxolan-3-yl)urea
CID 115760727
N-(cyclopropylmethyl)-4-(methylamino)-N-propan-2-yloxolane-3-carboxamide
CID 66267230
N-[4-[(dimethylamino)methyl]cyclohexyl]oxolan-3-amine
CID 115752858
2-[[cyclopropylmethyl(propan-2-yl)carbamoyl]amino]-3-hydroxypropanoic acid
CID 55000658

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-3-(oxolan-3-yl)-1-propan-2-ylurea?
The IUPAC name of 1-(cyclopropylmethyl)-3-(oxolan-3-yl)-1-propan-2-ylurea (CID 116654988) is 1-(cyclopropylmethyl)-3-(oxolan-3-yl)-1-propan-2-ylurea.
What is the SMILES notation for 1-(cyclopropylmethyl)-3-(oxolan-3-yl)-1-propan-2-ylurea?
The canonical SMILES for 1-(cyclopropylmethyl)-3-(oxolan-3-yl)-1-propan-2-ylurea is CC(C)N(CC1CC1)C(=O)NC1CCOC1.
What is the InChIKey of 1-(cyclopropylmethyl)-3-(oxolan-3-yl)-1-propan-2-ylurea?
The InChIKey is DRGXTEVAEYXSFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-9(2)14(7-10-3-4-10)12(15)13-11-5-6-16-8-11/h9-11H,3-8H2,1-2H3,(H,13,15).
What are the key properties of 1-(cyclopropylmethyl)-3-(oxolan-3-yl)-1-propan-2-ylurea?
1-(cyclopropylmethyl)-3-(oxolan-3-yl)-1-propan-2-ylurea 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-(cyclopropylmethyl)-3-(oxolan-3-yl)-1-propan-2-ylurea is sourced from PubChem (CID 116654988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).