1,1-diethyl-3-[(4-methoxyphenyl)methyl]urea

C13H20N2O2 — CID 2988168

IUPAC1,1-diethyl-3-[(4-methoxyphenyl)methyl]urea
SMILESCCN(CC)C(=O)NCc1ccc(OC)cc1
InChIInChI=1S/C13H20N2O2/c1-4-15(5-2)13(16)14-10-11-6-8-12(17-3)9-7-11/h6-9H,4-5,10H2,1-3H3,(H,14,16)
InChIKeyKGDLUQBTKPRTSG-UHFFFAOYSA-N
MW236.32 g/mol
LogP2.25
Rot. Bonds5

About 1,1-diethyl-3-[(4-methoxyphenyl)methyl]urea

1,1-diethyl-3-[(4-methoxyphenyl)methyl]urea (PubChem CID 2988168) has the molecular formula C13H20N2O2 and a molecular weight of 236.32 g/mol. Its IUPAC name is 1,1-diethyl-3-[(4-methoxyphenyl)methyl]urea.

Molecular Properties

Compound Name1,1-diethyl-3-[(4-methoxyphenyl)methyl]urea
PubChem CID2988168
Molecular FormulaC13H20N2O2
Molecular Weight236.32 g/mol
Exact Mass236.15
IUPAC Name1,1-diethyl-3-[(4-methoxyphenyl)methyl]urea
SMILESCCN(CC)C(=O)NCc1ccc(OC)cc1
InChIInChI=1S/C13H20N2O2/c1-4-15(5-2)13(16)14-10-11-6-8-12(17-3)9-7-11/h6-9H,4-5,10H2,1-3H3,(H,14,16)
InChIKeyKGDLUQBTKPRTSG-UHFFFAOYSA-N
XLogP2.25
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(4-methoxyphenyl)methyl]-1,1-bis(prop-2-enyl)urea
CID 108868165
N,N-diethyl-4-[[[(4-methoxyphenyl)methyl-methylcarbamoyl]amino]methyl]benzamide
CID 55795743
1,1-diethyl-3-[[4-(2-methylpropoxy)phenyl]methyl]urea
CID 60547827
1,1-diethyl-3-[(4-fluorophenyl)methyl]urea
CID 3851579
3-[(4-ethoxyphenyl)methyl]-1-ethyl-1-(2-hydroxyethyl)urea
CID 108884453
N-[(4-methoxyphenyl)methyl]acetamide;hydrochloride
CID 139808929
O-methyl N-[(4-methoxyphenyl)methylcarbamoyl]-N-sulfanylcarbamothioate
CID 151276492
1-ethyl-1-(imidazo[1,2-a]pyridin-3-ylmethyl)-3-[(4-methoxyphenyl)methyl]urea
CID 71802043
1-[2-(diethylamino)ethyl]-3-[(4-methoxyphenyl)methyl]urea
CID 108868181
N-ethyl-N-[[4-[(4-methoxyphenyl)methylcarbamoylamino]phenyl]methyl]acetamide
CID 166706560
1-[(4-methoxyphenyl)methyl]-3-propylurea
CID 41355184
3-[(4-ethoxyphenyl)methyl]-1,1-dipropylurea
CID 108884488

Frequently Asked Questions

What is the IUPAC name of 1,1-diethyl-3-[(4-methoxyphenyl)methyl]urea?
The IUPAC name of 1,1-diethyl-3-[(4-methoxyphenyl)methyl]urea (CID 2988168) is 1,1-diethyl-3-[(4-methoxyphenyl)methyl]urea.
What is the SMILES notation for 1,1-diethyl-3-[(4-methoxyphenyl)methyl]urea?
The canonical SMILES for 1,1-diethyl-3-[(4-methoxyphenyl)methyl]urea is CCN(CC)C(=O)NCc1ccc(OC)cc1.
What is the InChIKey of 1,1-diethyl-3-[(4-methoxyphenyl)methyl]urea?
The InChIKey is KGDLUQBTKPRTSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-4-15(5-2)13(16)14-10-11-6-8-12(17-3)9-7-11/h6-9H,4-5,10H2,1-3H3,(H,14,16).
What are the key properties of 1,1-diethyl-3-[(4-methoxyphenyl)methyl]urea?
1,1-diethyl-3-[(4-methoxyphenyl)methyl]urea has a molecular weight of 236.32 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diethyl-3-[(4-methoxyphenyl)methyl]urea is sourced from PubChem (CID 2988168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).