1-ethyl-1,3,3-tris(hydroxymethyl)urea

C6H14N2O4 — CID 18402780

IUPAC1-ethyl-1,3,3-tris(hydroxymethyl)urea
SMILESCCN(CO)C(=O)N(CO)CO
InChIInChI=1S/C6H14N2O4/c1-2-7(3-9)6(12)8(4-10)5-11/h9-11H,2-5H2,1H3
InChIKeyPPAKSNWDOXNHKZ-UHFFFAOYSA-N
MW178.19 g/mol
LogP-1.42
Rot. Bonds4

About 1-ethyl-1,3,3-tris(hydroxymethyl)urea

1-ethyl-1,3,3-tris(hydroxymethyl)urea (PubChem CID 18402780) has the molecular formula C6H14N2O4 and a molecular weight of 178.19 g/mol. Its IUPAC name is 1-ethyl-1,3,3-tris(hydroxymethyl)urea.

Molecular Properties

Compound Name1-ethyl-1,3,3-tris(hydroxymethyl)urea
PubChem CID18402780
Molecular FormulaC6H14N2O4
Molecular Weight178.19 g/mol
Exact Mass178.10
IUPAC Name1-ethyl-1,3,3-tris(hydroxymethyl)urea
SMILESCCN(CO)C(=O)N(CO)CO
InChIInChI=1S/C6H14N2O4/c1-2-7(3-9)6(12)8(4-10)5-11/h9-11H,2-5H2,1H3
InChIKeyPPAKSNWDOXNHKZ-UHFFFAOYSA-N
XLogP-1.42
TPSA84.24 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 5-1.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1,1,3,3-tetraethylurea;hydrofluoride
CID 175553250
N-ethyl-N-(hydroxymethyl)propanamide
CID 18715922
1-ethyl-1-(hydroxymethyl)-3,3-diphenylurea
CID 23183847
2-[ethyl-[ethyl(2-hydroxyethyl)carbamoyl]amino]acetic acid
CID 61208217
2-(diethylamino)-N,N-diethylacetamide
CID 13352066
1,1,3-tris(hydroxymethyl)-3-(3-hydroxypropyl)urea
CID 175507272
1,3-bis(2-hydroxyethyl)-1,3-bis(hydroxymethyl)urea
CID 157141155
N,N-bis(hydroxymethyl)pentanamide
CID 88793497
2-[bis(2-amino-2-oxoethyl)carbamoyl-ethylamino]acetic acid
CID 62923700
1,1-bis(cyclopropylmethyl)-3,3-diethylurea
CID 115629557
2-[[butyl(ethyl)carbamoyl]-(carboxymethyl)amino]acetic acid
CID 55247073
ethyl(hydroxymethyl)carbamodithioic acid
CID 101457611

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-1,3,3-tris(hydroxymethyl)urea?
The IUPAC name of 1-ethyl-1,3,3-tris(hydroxymethyl)urea (CID 18402780) is 1-ethyl-1,3,3-tris(hydroxymethyl)urea.
What is the SMILES notation for 1-ethyl-1,3,3-tris(hydroxymethyl)urea?
The canonical SMILES for 1-ethyl-1,3,3-tris(hydroxymethyl)urea is CCN(CO)C(=O)N(CO)CO.
What is the InChIKey of 1-ethyl-1,3,3-tris(hydroxymethyl)urea?
The InChIKey is PPAKSNWDOXNHKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O4/c1-2-7(3-9)6(12)8(4-10)5-11/h9-11H,2-5H2,1H3.
What are the key properties of 1-ethyl-1,3,3-tris(hydroxymethyl)urea?
1-ethyl-1,3,3-tris(hydroxymethyl)urea has a molecular weight of 178.19 g/mol, XLogP of -1.42, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-1,3,3-tris(hydroxymethyl)urea is sourced from PubChem (CID 18402780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).