1-hexan-3-yl-3-(oxolan-3-yl)urea

C11H22N2O2 — CID 115759008

IUPAC1-hexan-3-yl-3-(oxolan-3-yl)urea
SMILESCCCC(CC)NC(=O)NC1CCOC1
InChIInChI=1S/C11H22N2O2/c1-3-5-9(4-2)12-11(14)13-10-6-7-15-8-10/h9-10H,3-8H2,1-2H3,(H2,12,13,14)
InChIKeyKVNXRJRKLSMUDO-UHFFFAOYSA-N
MW214.31 g/mol
LogP1.65
Rot. Bonds5

About 1-hexan-3-yl-3-(oxolan-3-yl)urea

1-hexan-3-yl-3-(oxolan-3-yl)urea (PubChem CID 115759008) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 1-hexan-3-yl-3-(oxolan-3-yl)urea.

Molecular Properties

Compound Name1-hexan-3-yl-3-(oxolan-3-yl)urea
PubChem CID115759008
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name1-hexan-3-yl-3-(oxolan-3-yl)urea
SMILESCCCC(CC)NC(=O)NC1CCOC1
InChIInChI=1S/C11H22N2O2/c1-3-5-9(4-2)12-11(14)13-10-6-7-15-8-10/h9-10H,3-8H2,1-2H3,(H2,12,13,14)
InChIKeyKVNXRJRKLSMUDO-UHFFFAOYSA-N
XLogP1.65
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-(oxolan-3-ylcarbamoylamino)hexanoic acid
CID 107144880
(2R)-N-[(3S)-oxolan-3-yl]-2-propan-2-ylpentanamide
CID 97329335
1-(1-cyclopropylethyl)-3-(oxolan-3-yl)urea
CID 115758248
N-[(3S)-hexan-3-yl]oxane-4-carboxamide
CID 170970278
2-amino-N-(oxolan-3-yl)hexanamide
CID 80713232
1-(1-hydroxy-4,4-dimethylpentan-3-yl)-3-(oxolan-3-yl)urea
CID 104929916
1-butyl-3-(oxolan-3-yl)urea
CID 115755742
(2S)-4-hydroxy-2-(oxolan-3-ylcarbamoylamino)butanoic acid
CID 107823850
N-methyl-2-(oxolan-3-ylcarbamoylamino)propanamide
CID 115758780
1-but-3-en-2-yl-3-(oxolan-3-yl)urea
CID 115759178
1-cyclopentyl-3-octan-4-ylurea
CID 103729065
2-(oxolan-3-ylamino)pentanoic acid
CID 63557369

Frequently Asked Questions

What is the IUPAC name of 1-hexan-3-yl-3-(oxolan-3-yl)urea?
The IUPAC name of 1-hexan-3-yl-3-(oxolan-3-yl)urea (CID 115759008) is 1-hexan-3-yl-3-(oxolan-3-yl)urea.
What is the SMILES notation for 1-hexan-3-yl-3-(oxolan-3-yl)urea?
The canonical SMILES for 1-hexan-3-yl-3-(oxolan-3-yl)urea is CCCC(CC)NC(=O)NC1CCOC1.
What is the InChIKey of 1-hexan-3-yl-3-(oxolan-3-yl)urea?
The InChIKey is KVNXRJRKLSMUDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-3-5-9(4-2)12-11(14)13-10-6-7-15-8-10/h9-10H,3-8H2,1-2H3,(H2,12,13,14).
What are the key properties of 1-hexan-3-yl-3-(oxolan-3-yl)urea?
1-hexan-3-yl-3-(oxolan-3-yl)urea has a molecular weight of 214.31 g/mol, XLogP of 1.65, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hexan-3-yl-3-(oxolan-3-yl)urea is sourced from PubChem (CID 115759008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).