3-benzyl-1-[2-[benzylcarbamoyl(methyl)amino]ethyl]-1-methylurea

C20H26N4O2 — CID 44533095

IUPAC3-benzyl-1-[2-[benzylcarbamoyl(methyl)amino]ethyl]-1-methylurea
SMILESCN(CCN(C)C(=O)NCc1ccccc1)C(=O)NCc1ccccc1
InChIInChI=1S/C20H26N4O2/c1-23(19(25)21-15-17-9-5-3-6-10-17)13-14-24(2)20(26)22-16-18-11-7-4-8-12-18/h3-12H,13-16H2,1-2H3,(H,21,25)(H,22,26)
InChIKeyKJHPYVUHYIHUDY-UHFFFAOYSA-N
MW354.45 g/mol
LogP2.67
Rot. Bonds7

About 3-benzyl-1-[2-[benzylcarbamoyl(methyl)amino]ethyl]-1-methylurea

3-benzyl-1-[2-[benzylcarbamoyl(methyl)amino]ethyl]-1-methylurea (PubChem CID 44533095) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is 3-benzyl-1-[2-[benzylcarbamoyl(methyl)amino]ethyl]-1-methylurea.

Molecular Properties

Compound Name3-benzyl-1-[2-[benzylcarbamoyl(methyl)amino]ethyl]-1-methylurea
PubChem CID44533095
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC Name3-benzyl-1-[2-[benzylcarbamoyl(methyl)amino]ethyl]-1-methylurea
SMILESCN(CCN(C)C(=O)NCc1ccccc1)C(=O)NCc1ccccc1
InChIInChI=1S/C20H26N4O2/c1-23(19(25)21-15-17-9-5-3-6-10-17)13-14-24(2)20(26)22-16-18-11-7-4-8-12-18/h3-12H,13-16H2,1-2H3,(H,21,25)(H,22,26)
InChIKeyKJHPYVUHYIHUDY-UHFFFAOYSA-N
XLogP2.67
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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ethyl 2-[benzylcarbamoyl(methyl)amino]acetate
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Frequently Asked Questions

What is the IUPAC name of 3-benzyl-1-[2-[benzylcarbamoyl(methyl)amino]ethyl]-1-methylurea?
The IUPAC name of 3-benzyl-1-[2-[benzylcarbamoyl(methyl)amino]ethyl]-1-methylurea (CID 44533095) is 3-benzyl-1-[2-[benzylcarbamoyl(methyl)amino]ethyl]-1-methylurea.
What is the SMILES notation for 3-benzyl-1-[2-[benzylcarbamoyl(methyl)amino]ethyl]-1-methylurea?
The canonical SMILES for 3-benzyl-1-[2-[benzylcarbamoyl(methyl)amino]ethyl]-1-methylurea is CN(CCN(C)C(=O)NCc1ccccc1)C(=O)NCc1ccccc1.
What is the InChIKey of 3-benzyl-1-[2-[benzylcarbamoyl(methyl)amino]ethyl]-1-methylurea?
The InChIKey is KJHPYVUHYIHUDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2/c1-23(19(25)21-15-17-9-5-3-6-10-17)13-14-24(2)20(26)22-16-18-11-7-4-8-12-18/h3-12H,13-16H2,1-2H3,(H,21,25)(H,22,26).
What are the key properties of 3-benzyl-1-[2-[benzylcarbamoyl(methyl)amino]ethyl]-1-methylurea?
3-benzyl-1-[2-[benzylcarbamoyl(methyl)amino]ethyl]-1-methylurea has a molecular weight of 354.45 g/mol, XLogP of 2.67, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-1-[2-[benzylcarbamoyl(methyl)amino]ethyl]-1-methylurea is sourced from PubChem (CID 44533095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).