1-(oxan-4-ylidenemethyl)-3-propan-2-ylurea

C10H18N2O2 — CID 108913090

IUPAC1-(oxan-4-ylidenemethyl)-3-propan-2-ylurea
SMILESCC(C)NC(=O)NC=C1CCOCC1
InChIInChI=1S/C10H18N2O2/c1-8(2)12-10(13)11-7-9-3-5-14-6-4-9/h7-8H,3-6H2,1-2H3,(H2,11,12,13)
InChIKeyGRHFMELKLWXLEE-UHFFFAOYSA-N
MW198.27 g/mol
LogP1.39
Rot. Bonds2

About 1-(oxan-4-ylidenemethyl)-3-propan-2-ylurea

1-(oxan-4-ylidenemethyl)-3-propan-2-ylurea (PubChem CID 108913090) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is 1-(oxan-4-ylidenemethyl)-3-propan-2-ylurea.

Molecular Properties

Compound Name1-(oxan-4-ylidenemethyl)-3-propan-2-ylurea
PubChem CID108913090
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC Name1-(oxan-4-ylidenemethyl)-3-propan-2-ylurea
SMILESCC(C)NC(=O)NC=C1CCOCC1
InChIInChI=1S/C10H18N2O2/c1-8(2)12-10(13)11-7-9-3-5-14-6-4-9/h7-8H,3-6H2,1-2H3,(H2,11,12,13)
InChIKeyGRHFMELKLWXLEE-UHFFFAOYSA-N
XLogP1.39
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(3,4-dimethoxyphenyl)ethyl]-3-(oxan-4-ylidenemethyl)urea
CID 108913137
1-(2-methyl-6-propan-2-ylphenyl)-3-(oxan-4-ylidenemethyl)urea
CID 108913071
1-(4-ethylphenyl)-3-(oxan-4-ylidenemethyl)urea
CID 108913217
4-(oxan-4-ylidenemethylcarbamoylamino)benzamide
CID 108913299
1-(5-chloro-2-methoxyphenyl)-3-(oxan-4-ylidenemethyl)urea
CID 108913085
1-[2-(4-methoxyphenyl)ethyl]-3-(oxan-4-ylidenemethyl)urea
CID 108913115
1-[(2-fluorophenyl)methyl]-3-(oxan-4-ylidenemethyl)urea
CID 108913318
1-(2,4-dimethoxyphenyl)-3-(oxan-4-ylidenemethyl)urea
CID 108913229
1-(oxan-4-ylidenemethyl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]urea
CID 108913052
1-[[3-(aminomethyl)phenyl]methyl]-3-(oxan-4-ylidenemethyl)urea
CID 108913190
1-(1-morpholin-4-yl-1-oxopropan-2-yl)-3-propan-2-ylurea
CID 115620431
N-(cyclopentylidenemethyl)morpholine-4-carboxamide
CID 108913501

Frequently Asked Questions

What is the IUPAC name of 1-(oxan-4-ylidenemethyl)-3-propan-2-ylurea?
The IUPAC name of 1-(oxan-4-ylidenemethyl)-3-propan-2-ylurea (CID 108913090) is 1-(oxan-4-ylidenemethyl)-3-propan-2-ylurea.
What is the SMILES notation for 1-(oxan-4-ylidenemethyl)-3-propan-2-ylurea?
The canonical SMILES for 1-(oxan-4-ylidenemethyl)-3-propan-2-ylurea is CC(C)NC(=O)NC=C1CCOCC1.
What is the InChIKey of 1-(oxan-4-ylidenemethyl)-3-propan-2-ylurea?
The InChIKey is GRHFMELKLWXLEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2/c1-8(2)12-10(13)11-7-9-3-5-14-6-4-9/h7-8H,3-6H2,1-2H3,(H2,11,12,13).
What are the key properties of 1-(oxan-4-ylidenemethyl)-3-propan-2-ylurea?
1-(oxan-4-ylidenemethyl)-3-propan-2-ylurea has a molecular weight of 198.27 g/mol, XLogP of 1.39, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxan-4-ylidenemethyl)-3-propan-2-ylurea is sourced from PubChem (CID 108913090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).