1-benzyl-1,3-diethyl-3-methylurea

C13H20N2O — CID 116654057

IUPAC1-benzyl-1,3-diethyl-3-methylurea
SMILESCCN(C)C(=O)N(CC)Cc1ccccc1
InChIInChI=1S/C13H20N2O/c1-4-14(3)13(16)15(5-2)11-12-9-7-6-8-10-12/h6-10H,4-5,11H2,1-3H3
InChIKeyQUHUNECHIPXSBK-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.58
Rot. Bonds4

About 1-benzyl-1,3-diethyl-3-methylurea

1-benzyl-1,3-diethyl-3-methylurea (PubChem CID 116654057) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 1-benzyl-1,3-diethyl-3-methylurea.

Molecular Properties

Compound Name1-benzyl-1,3-diethyl-3-methylurea
PubChem CID116654057
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name1-benzyl-1,3-diethyl-3-methylurea
SMILESCCN(C)C(=O)N(CC)Cc1ccccc1
InChIInChI=1S/C13H20N2O/c1-4-14(3)13(16)15(5-2)11-12-9-7-6-8-10-12/h6-10H,4-5,11H2,1-3H3
InChIKeyQUHUNECHIPXSBK-UHFFFAOYSA-N
XLogP2.58
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 10679448
N,N'-dibenzyl-N,N'-diethylpropanediamide
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N,N'-dibenzyl-N,N'-diethylpentanediamide
CID 68902262
benzyl N-benzyl-N-ethylcarbamate
CID 70968693
1,3-diethyl-1-methyl-3-(thiophen-2-ylmethyl)urea
CID 116654591
2-[[benzyl(ethyl)carbamoyl]-cyclopropylamino]acetic acid
CID 61186434
1-ethyl-1-methyl-3,3-diphenylurea
CID 67018920
3-[benzyl(ethyl)amino]-2,2-dimethyl-3-oxopropanoic acid
CID 82812836
N-benzyl-2-bromo-N-ethylpropanamide
CID 82108939
1-N-benzyl-1-N',1-N'-diethyl-1-N-methylcyclopropane-1,1-dicarboxamide
CID 108975527

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-1,3-diethyl-3-methylurea?
The IUPAC name of 1-benzyl-1,3-diethyl-3-methylurea (CID 116654057) is 1-benzyl-1,3-diethyl-3-methylurea.
What is the SMILES notation for 1-benzyl-1,3-diethyl-3-methylurea?
The canonical SMILES for 1-benzyl-1,3-diethyl-3-methylurea is CCN(C)C(=O)N(CC)Cc1ccccc1.
What is the InChIKey of 1-benzyl-1,3-diethyl-3-methylurea?
The InChIKey is QUHUNECHIPXSBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-4-14(3)13(16)15(5-2)11-12-9-7-6-8-10-12/h6-10H,4-5,11H2,1-3H3.
What are the key properties of 1-benzyl-1,3-diethyl-3-methylurea?
1-benzyl-1,3-diethyl-3-methylurea has a molecular weight of 220.32 g/mol, XLogP of 2.58, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-1,3-diethyl-3-methylurea is sourced from PubChem (CID 116654057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).