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

C14H22N2O2 — CID 115598127

IUPAC1,1-diethyl-3-[1-(4-methoxyphenyl)ethyl]urea
SMILESCCN(CC)C(=O)NC(C)c1ccc(OC)cc1
InChIInChI=1S/C14H22N2O2/c1-5-16(6-2)14(17)15-11(3)12-7-9-13(18-4)10-8-12/h7-11H,5-6H2,1-4H3,(H,15,17)
InChIKeyWXZXWVOORGQGDG-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.81
Rot. Bonds5

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

1,1-diethyl-3-[1-(4-methoxyphenyl)ethyl]urea (PubChem CID 115598127) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 1,1-diethyl-3-[1-(4-methoxyphenyl)ethyl]urea.

Molecular Properties

Compound Name1,1-diethyl-3-[1-(4-methoxyphenyl)ethyl]urea
PubChem CID115598127
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name1,1-diethyl-3-[1-(4-methoxyphenyl)ethyl]urea
SMILESCCN(CC)C(=O)NC(C)c1ccc(OC)cc1
InChIInChI=1S/C14H22N2O2/c1-5-16(6-2)14(17)15-11(3)12-7-9-13(18-4)10-8-12/h7-11H,5-6H2,1-4H3,(H,15,17)
InChIKeyWXZXWVOORGQGDG-UHFFFAOYSA-N
XLogP2.81
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-methoxyphenyl)-N-[(1R)-1-(4-methoxyphenyl)ethyl]acetamide
CID 94843836
3-[1-(4-methoxyphenyl)ethylcarbamoyl-methylamino]-2-methylpropanoic acid
CID 66195659
N-[(2S)-butan-2-yl]-N'-[(1R)-1-(4-methoxyphenyl)ethyl]oxamide
CID 124605637
2-bromo-N-[(1S)-1-(4-methoxyphenyl)ethyl]acetamide
CID 81370298
2-amino-N-[(1R)-1-(4-methoxyphenyl)ethyl]acetamide
CID 81364080
(2S)-2-amino-N-[1-(4-methoxyphenyl)ethyl]butanamide
CID 66196419
(2R)-2-amino-N-[(1S)-1-(4-methoxyphenyl)ethyl]butanamide
CID 81363875
(2R)-2-amino-N-[(1R)-1-(4-methoxyphenyl)ethyl]butanamide
CID 81364305
1-N,4-N-bis[(1S)-1-(4-methoxyphenyl)ethyl]benzene-1,4-dicarboxamide
CID 2211003
1-[2-(dimethylamino)ethyl]-1-ethyl-3-[(1S)-1-(4-hydroxyphenyl)ethyl]urea
CID 125443345
3-[1-(3-ethoxyphenyl)ethyl]-1,1-diethylurea
CID 60600590
N-[1-(4-methoxyphenyl)ethyl]-2,2-dimethylpropanamide
CID 17330111

Frequently Asked Questions

What is the IUPAC name of 1,1-diethyl-3-[1-(4-methoxyphenyl)ethyl]urea?
The IUPAC name of 1,1-diethyl-3-[1-(4-methoxyphenyl)ethyl]urea (CID 115598127) is 1,1-diethyl-3-[1-(4-methoxyphenyl)ethyl]urea.
What is the SMILES notation for 1,1-diethyl-3-[1-(4-methoxyphenyl)ethyl]urea?
The canonical SMILES for 1,1-diethyl-3-[1-(4-methoxyphenyl)ethyl]urea is CCN(CC)C(=O)NC(C)c1ccc(OC)cc1.
What is the InChIKey of 1,1-diethyl-3-[1-(4-methoxyphenyl)ethyl]urea?
The InChIKey is WXZXWVOORGQGDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-5-16(6-2)14(17)15-11(3)12-7-9-13(18-4)10-8-12/h7-11H,5-6H2,1-4H3,(H,15,17).
What are the key properties of 1,1-diethyl-3-[1-(4-methoxyphenyl)ethyl]urea?
1,1-diethyl-3-[1-(4-methoxyphenyl)ethyl]urea has a molecular weight of 250.34 g/mol, XLogP of 2.81, 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-[1-(4-methoxyphenyl)ethyl]urea is sourced from PubChem (CID 115598127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).