1,1-bis(2-hydroxyethyl)-3-(oxan-4-ylidenemethyl)urea

C11H20N2O4 — CID 108913130

IUPAC1,1-bis(2-hydroxyethyl)-3-(oxan-4-ylidenemethyl)urea
SMILESO=C(NC=C1CCOCC1)N(CCO)CCO
InChIInChI=1S/C11H20N2O4/c14-5-3-13(4-6-15)11(16)12-9-10-1-7-17-8-2-10/h9,14-15H,1-8H2,(H,12,16)
InChIKeyYNAKGJQOPBYPKA-UHFFFAOYSA-N
MW244.29 g/mol
LogP-0.32
Rot. Bonds5

About 1,1-bis(2-hydroxyethyl)-3-(oxan-4-ylidenemethyl)urea

1,1-bis(2-hydroxyethyl)-3-(oxan-4-ylidenemethyl)urea (PubChem CID 108913130) has the molecular formula C11H20N2O4 and a molecular weight of 244.29 g/mol. Its IUPAC name is 1,1-bis(2-hydroxyethyl)-3-(oxan-4-ylidenemethyl)urea.

Molecular Properties

Compound Name1,1-bis(2-hydroxyethyl)-3-(oxan-4-ylidenemethyl)urea
PubChem CID108913130
Molecular FormulaC11H20N2O4
Molecular Weight244.29 g/mol
Exact Mass244.14
IUPAC Name1,1-bis(2-hydroxyethyl)-3-(oxan-4-ylidenemethyl)urea
SMILESO=C(NC=C1CCOCC1)N(CCO)CCO
InChIInChI=1S/C11H20N2O4/c14-5-3-13(4-6-15)11(16)12-9-10-1-7-17-8-2-10/h9,14-15H,1-8H2,(H,12,16)
InChIKeyYNAKGJQOPBYPKA-UHFFFAOYSA-N
XLogP-0.32
TPSA82.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 5-0.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1,1-bis(2-methoxyethyl)-3-(oxan-4-ylidenemethyl)urea
CID 108913275
1-ethyl-3-(oxan-4-ylidenemethyl)-1-phenylurea
CID 108913188
1-benzyl-3-(cyclohexylidenemethyl)-1-(2-hydroxyethyl)urea
CID 108912537
2-[bis(2-hydroxyethyl)carbamoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide
CID 69449815
1-(4-ethylphenyl)-3-(oxan-4-ylidenemethyl)urea
CID 108913217
1-[(2-fluorophenyl)methyl]-3-(oxan-4-ylidenemethyl)urea
CID 108913318
4-(oxan-4-ylidenemethylcarbamoylamino)benzamide
CID 108913299
1-[2-(4-methoxyphenyl)ethyl]-3-(oxan-4-ylidenemethyl)urea
CID 108913115
1-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-3-(oxan-4-ylidenemethyl)urea
CID 108913360
N-(cyclopentylidenemethyl)morpholine-4-carboxamide
CID 108913501
1-[2-(3-bromophenyl)ethyl]-3-(oxan-4-ylidenemethyl)urea
CID 108913399
1-(2-cyanophenyl)-3-(oxan-4-ylidenemethyl)urea
CID 108913082

Frequently Asked Questions

What is the IUPAC name of 1,1-bis(2-hydroxyethyl)-3-(oxan-4-ylidenemethyl)urea?
The IUPAC name of 1,1-bis(2-hydroxyethyl)-3-(oxan-4-ylidenemethyl)urea (CID 108913130) is 1,1-bis(2-hydroxyethyl)-3-(oxan-4-ylidenemethyl)urea.
What is the SMILES notation for 1,1-bis(2-hydroxyethyl)-3-(oxan-4-ylidenemethyl)urea?
The canonical SMILES for 1,1-bis(2-hydroxyethyl)-3-(oxan-4-ylidenemethyl)urea is O=C(NC=C1CCOCC1)N(CCO)CCO.
What is the InChIKey of 1,1-bis(2-hydroxyethyl)-3-(oxan-4-ylidenemethyl)urea?
The InChIKey is YNAKGJQOPBYPKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O4/c14-5-3-13(4-6-15)11(16)12-9-10-1-7-17-8-2-10/h9,14-15H,1-8H2,(H,12,16).
What are the key properties of 1,1-bis(2-hydroxyethyl)-3-(oxan-4-ylidenemethyl)urea?
1,1-bis(2-hydroxyethyl)-3-(oxan-4-ylidenemethyl)urea has a molecular weight of 244.29 g/mol, XLogP of -0.32, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-bis(2-hydroxyethyl)-3-(oxan-4-ylidenemethyl)urea is sourced from PubChem (CID 108913130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).