1,1-bis(2-hydroxyethyl)-3-propylurea

C8H18N2O3 — CID 11615318

IUPAC1,1-bis(2-hydroxyethyl)-3-propylurea
SMILESCCCNC(=O)N(CCO)CCO
InChIInChI=1S/C8H18N2O3/c1-2-3-9-8(13)10(4-6-11)5-7-12/h11-12H,2-7H2,1H3,(H,9,13)
InChIKeyGBPMHVWWNARLJZ-UHFFFAOYSA-N
MW190.24 g/mol
LogP-0.61
Rot. Bonds6

About 1,1-bis(2-hydroxyethyl)-3-propylurea

1,1-bis(2-hydroxyethyl)-3-propylurea (PubChem CID 11615318) has the molecular formula C8H18N2O3 and a molecular weight of 190.24 g/mol. Its IUPAC name is 1,1-bis(2-hydroxyethyl)-3-propylurea.

Molecular Properties

Compound Name1,1-bis(2-hydroxyethyl)-3-propylurea
PubChem CID11615318
Molecular FormulaC8H18N2O3
Molecular Weight190.24 g/mol
Exact Mass190.13
IUPAC Name1,1-bis(2-hydroxyethyl)-3-propylurea
SMILESCCCNC(=O)N(CCO)CCO
InChIInChI=1S/C8H18N2O3/c1-2-3-9-8(13)10(4-6-11)5-7-12/h11-12H,2-7H2,1H3,(H,9,13)
InChIKeyGBPMHVWWNARLJZ-UHFFFAOYSA-N
XLogP-0.61
TPSA72.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 5-0.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,1-bis(2-hydroxyethyl)-3-propylurea?
The IUPAC name of 1,1-bis(2-hydroxyethyl)-3-propylurea (CID 11615318) is 1,1-bis(2-hydroxyethyl)-3-propylurea.
What is the SMILES notation for 1,1-bis(2-hydroxyethyl)-3-propylurea?
The canonical SMILES for 1,1-bis(2-hydroxyethyl)-3-propylurea is CCCNC(=O)N(CCO)CCO.
What is the InChIKey of 1,1-bis(2-hydroxyethyl)-3-propylurea?
The InChIKey is GBPMHVWWNARLJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O3/c1-2-3-9-8(13)10(4-6-11)5-7-12/h11-12H,2-7H2,1H3,(H,9,13).
What are the key properties of 1,1-bis(2-hydroxyethyl)-3-propylurea?
1,1-bis(2-hydroxyethyl)-3-propylurea has a molecular weight of 190.24 g/mol, XLogP of -0.61, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-bis(2-hydroxyethyl)-3-propylurea is sourced from PubChem (CID 11615318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).