1,3-bis(2-hydroxyethyl)-1,3-bis(hydroxymethyl)urea

C7H16N2O5 — CID 157141155

IUPAC1,3-bis(2-hydroxyethyl)-1,3-bis(hydroxymethyl)urea
SMILESO=C(N(CO)CCO)N(CO)CCO
InChIInChI=1S/C7H16N2O5/c10-3-1-8(5-12)7(14)9(6-13)2-4-11/h10-13H,1-6H2
InChIKeyAKEXDMCTMFFGJH-UHFFFAOYSA-N
MW208.21 g/mol
LogP-2.41
Rot. Bonds6

About 1,3-bis(2-hydroxyethyl)-1,3-bis(hydroxymethyl)urea

1,3-bis(2-hydroxyethyl)-1,3-bis(hydroxymethyl)urea (PubChem CID 157141155) has the molecular formula C7H16N2O5 and a molecular weight of 208.21 g/mol. Its IUPAC name is 1,3-bis(2-hydroxyethyl)-1,3-bis(hydroxymethyl)urea.

Molecular Properties

Compound Name1,3-bis(2-hydroxyethyl)-1,3-bis(hydroxymethyl)urea
PubChem CID157141155
Molecular FormulaC7H16N2O5
Molecular Weight208.21 g/mol
Exact Mass208.11
IUPAC Name1,3-bis(2-hydroxyethyl)-1,3-bis(hydroxymethyl)urea
SMILESO=C(N(CO)CCO)N(CO)CCO
InChIInChI=1S/C7H16N2O5/c10-3-1-8(5-12)7(14)9(6-13)2-4-11/h10-13H,1-6H2
InChIKeyAKEXDMCTMFFGJH-UHFFFAOYSA-N
XLogP-2.41
TPSA104.47 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.21
LogP ≤ 5-2.41
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1,1,3-tris(hydroxymethyl)-3-(3-hydroxypropyl)urea
CID 175507272
2-[ethyl-[ethyl(2-hydroxyethyl)carbamoyl]amino]acetic acid
CID 61208217
2-[[2-hydroxyethyl(propyl)carbamoyl]-propylamino]acetic acid
CID 55134962
1-ethyl-1,3,3-tris(hydroxymethyl)urea
CID 18402780
ethyl(2-hydroxyethyl)carbamic acid
CID 23202017
2-[hydroxymethyl-[hydroxymethyl-[2-(2-methylprop-2-enoyloxy)ethyl]carbamoyl]amino]ethyl 2-methylprop-2-enoate
CID 139748456
2-[[2-hydroxyethyl(propyl)carbamoyl]-methylamino]acetic acid
CID 61425586
2-[cyclopropylmethyl-[2-hydroxyethyl(propyl)carbamoyl]amino]acetic acid
CID 61425635
1-N,1-N,4-N,4-N-tetrakis(2-hydroxyethyl)cyclohexane-1,4-dicarboxamide
CID 58434361
N,N-bis(2-hydroxyethyl)butanamide
CID 14455174
2-[[butyl(2-hydroxyethyl)carbamoyl]-(cyclopropylmethyl)amino]acetic acid
CID 61447331
N,N-bis(2-hydroxyethyl)prop-2-enamide;ethane
CID 176950380

Frequently Asked Questions

What is the IUPAC name of 1,3-bis(2-hydroxyethyl)-1,3-bis(hydroxymethyl)urea?
The IUPAC name of 1,3-bis(2-hydroxyethyl)-1,3-bis(hydroxymethyl)urea (CID 157141155) is 1,3-bis(2-hydroxyethyl)-1,3-bis(hydroxymethyl)urea.
What is the SMILES notation for 1,3-bis(2-hydroxyethyl)-1,3-bis(hydroxymethyl)urea?
The canonical SMILES for 1,3-bis(2-hydroxyethyl)-1,3-bis(hydroxymethyl)urea is O=C(N(CO)CCO)N(CO)CCO.
What is the InChIKey of 1,3-bis(2-hydroxyethyl)-1,3-bis(hydroxymethyl)urea?
The InChIKey is AKEXDMCTMFFGJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O5/c10-3-1-8(5-12)7(14)9(6-13)2-4-11/h10-13H,1-6H2.
What are the key properties of 1,3-bis(2-hydroxyethyl)-1,3-bis(hydroxymethyl)urea?
1,3-bis(2-hydroxyethyl)-1,3-bis(hydroxymethyl)urea has a molecular weight of 208.21 g/mol, XLogP of -2.41, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(2-hydroxyethyl)-1,3-bis(hydroxymethyl)urea is sourced from PubChem (CID 157141155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).