1-benzyl-1,3,3-triethylurea

C14H22N2O — CID 2990170

IUPAC1-benzyl-1,3,3-triethylurea
SMILESCCN(CC)C(=O)N(CC)Cc1ccccc1
InChIInChI=1S/C14H22N2O/c1-4-15(5-2)14(17)16(6-3)12-13-10-8-7-9-11-13/h7-11H,4-6,12H2,1-3H3
InChIKeyICZCGQYOKCNCAN-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.97
Rot. Bonds5

About 1-benzyl-1,3,3-triethylurea

1-benzyl-1,3,3-triethylurea (PubChem CID 2990170) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 1-benzyl-1,3,3-triethylurea.

Molecular Properties

Compound Name1-benzyl-1,3,3-triethylurea
PubChem CID2990170
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name1-benzyl-1,3,3-triethylurea
SMILESCCN(CC)C(=O)N(CC)Cc1ccccc1
InChIInChI=1S/C14H22N2O/c1-4-15(5-2)14(17)16(6-3)12-13-10-8-7-9-11-13/h7-11H,4-6,12H2,1-3H3
InChIKeyICZCGQYOKCNCAN-UHFFFAOYSA-N
XLogP2.97
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-benzyl-1,3,3-triethylurea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-1,3,3-triethylurea?
The IUPAC name of 1-benzyl-1,3,3-triethylurea (CID 2990170) is 1-benzyl-1,3,3-triethylurea.
What is the SMILES notation for 1-benzyl-1,3,3-triethylurea?
The canonical SMILES for 1-benzyl-1,3,3-triethylurea is CCN(CC)C(=O)N(CC)Cc1ccccc1.
What is the InChIKey of 1-benzyl-1,3,3-triethylurea?
The InChIKey is ICZCGQYOKCNCAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-4-15(5-2)14(17)16(6-3)12-13-10-8-7-9-11-13/h7-11H,4-6,12H2,1-3H3.
What are the key properties of 1-benzyl-1,3,3-triethylurea?
1-benzyl-1,3,3-triethylurea has a molecular weight of 234.34 g/mol, XLogP of 2.97, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-1,3,3-triethylurea is sourced from PubChem (CID 2990170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).