1,1-diethyl-3-(2-propylphenyl)urea

C14H22N2O — CID 113233204

IUPAC1,1-diethyl-3-(2-propylphenyl)urea
SMILESCCCc1ccccc1NC(=O)N(CC)CC
InChIInChI=1S/C14H22N2O/c1-4-9-12-10-7-8-11-13(12)15-14(17)16(5-2)6-3/h7-8,10-11H,4-6,9H2,1-3H3,(H,15,17)
InChIKeyFLFZLKJAZQBHDR-UHFFFAOYSA-N
MW234.34 g/mol
LogP3.51
Rot. Bonds5

About 1,1-diethyl-3-(2-propylphenyl)urea

1,1-diethyl-3-(2-propylphenyl)urea (PubChem CID 113233204) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 1,1-diethyl-3-(2-propylphenyl)urea.

Molecular Properties

Compound Name1,1-diethyl-3-(2-propylphenyl)urea
PubChem CID113233204
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name1,1-diethyl-3-(2-propylphenyl)urea
SMILESCCCc1ccccc1NC(=O)N(CC)CC
InChIInChI=1S/C14H22N2O/c1-4-9-12-10-7-8-11-13(12)15-14(17)16(5-2)6-3/h7-8,10-11H,4-6,9H2,1-3H3,(H,15,17)
InChIKeyFLFZLKJAZQBHDR-UHFFFAOYSA-N
XLogP3.51
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-benzyl-1-(2-hydroxyethyl)-3-(2-propylphenyl)urea
CID 110896766
ethane;N-(2-propylphenyl)acetamide
CID 142804217
3-[2-[[ethyl(2-methylpropyl)carbamoyl]amino]phenyl]propanoic acid
CID 107273985
2-methylidene-N-(2-propylphenyl)butanamide
CID 142073975
2,3-dimethyl-4-oxo-4-(2-propylanilino)butanoic acid
CID 103497022
2-[2-[[2-hydroxyethyl(propyl)carbamoyl]amino]phenyl]acetic acid
CID 62535180
(2-propylphenyl)carbamodithioic acid
CID 87193127
3-(2,3-dichlorophenyl)-1,1-diethylurea
CID 4098247
(2R)-2-amino-3,3-dimethyl-N-(2-propylphenyl)butanamide
CID 103928701
1-(2-propylphenyl)-3-(2,2,2-trifluoroethyl)urea
CID 115583957
1-[(1R)-2-methoxy-1-pyridin-2-ylethyl]-1-methyl-3-(2-propylphenyl)urea
CID 97453326
1-(1-benzothiophen-3-ylmethyl)-1-methyl-3-(2-propylphenyl)urea
CID 112826081

Frequently Asked Questions

What is the IUPAC name of 1,1-diethyl-3-(2-propylphenyl)urea?
The IUPAC name of 1,1-diethyl-3-(2-propylphenyl)urea (CID 113233204) is 1,1-diethyl-3-(2-propylphenyl)urea.
What is the SMILES notation for 1,1-diethyl-3-(2-propylphenyl)urea?
The canonical SMILES for 1,1-diethyl-3-(2-propylphenyl)urea is CCCc1ccccc1NC(=O)N(CC)CC.
What is the InChIKey of 1,1-diethyl-3-(2-propylphenyl)urea?
The InChIKey is FLFZLKJAZQBHDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-4-9-12-10-7-8-11-13(12)15-14(17)16(5-2)6-3/h7-8,10-11H,4-6,9H2,1-3H3,(H,15,17).
What are the key properties of 1,1-diethyl-3-(2-propylphenyl)urea?
1,1-diethyl-3-(2-propylphenyl)urea has a molecular weight of 234.34 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diethyl-3-(2-propylphenyl)urea is sourced from PubChem (CID 113233204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).