1-tert-butyl-3-[1-(4-ethylphenyl)ethyl]urea

C15H24N2O — CID 108896878

IUPAC1-tert-butyl-3-[1-(4-ethylphenyl)ethyl]urea
SMILESCCc1ccc(C(C)NC(=O)NC(C)(C)C)cc1
InChIInChI=1S/C15H24N2O/c1-6-12-7-9-13(10-8-12)11(2)16-14(18)17-15(3,4)5/h7-11H,6H2,1-5H3,(H2,16,17,18)
InChIKeyNKKUDWVIBAESQY-UHFFFAOYSA-N
MW248.37 g/mol
LogP3.41
Rot. Bonds3

About 1-tert-butyl-3-[1-(4-ethylphenyl)ethyl]urea

1-tert-butyl-3-[1-(4-ethylphenyl)ethyl]urea (PubChem CID 108896878) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 1-tert-butyl-3-[1-(4-ethylphenyl)ethyl]urea.

Molecular Properties

Compound Name1-tert-butyl-3-[1-(4-ethylphenyl)ethyl]urea
PubChem CID108896878
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name1-tert-butyl-3-[1-(4-ethylphenyl)ethyl]urea
SMILESCCc1ccc(C(C)NC(=O)NC(C)(C)C)cc1
InChIInChI=1S/C15H24N2O/c1-6-12-7-9-13(10-8-12)11(2)16-14(18)17-15(3,4)5/h7-11H,6H2,1-5H3,(H2,16,17,18)
InChIKeyNKKUDWVIBAESQY-UHFFFAOYSA-N
XLogP3.41
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(1R)-1-(4-ethylphenyl)ethyl]-3-propylurea
CID 94828358
(2R)-2-amino-N-[1-(4-ethylphenyl)ethyl]-3,3-dimethylbutanamide
CID 103928673
2-amino-N-[1-(4-ethylphenyl)ethyl]-3,3-dimethylbutanamide
CID 76887263
1-[1-(4-ethylphenyl)ethyl]-3-prop-2-enylurea
CID 127510643
N-[1-(4-ethylphenyl)ethyl]-3-oxobutanamide
CID 54896208
3-[1-(4-ethylphenyl)ethylamino]-3-oxopropanoic acid
CID 55049684
1-[(1S)-1-(4-ethylphenyl)ethyl]-3-(2-ethylsulfonylethyl)urea
CID 95568330
1-cyclopentyl-3-[1-(4-ethylphenyl)ethyl]urea
CID 47128258
4-[[(1R)-1-(4-ethylphenyl)ethyl]carbamoylamino]butanamide
CID 94158544
N-[1-(4-ethylphenyl)ethyl]-2-phenylacetamide
CID 2854113
4-(2,2-dimethylpropanoyl)-N-[1-(4-ethylphenyl)ethyl]piperazine-1-carboxamide
CID 86999696
2-(4-chlorophenyl)-N-[(1R)-1-(4-ethylphenyl)ethyl]acetamide
CID 93236026

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-[1-(4-ethylphenyl)ethyl]urea?
The IUPAC name of 1-tert-butyl-3-[1-(4-ethylphenyl)ethyl]urea (CID 108896878) is 1-tert-butyl-3-[1-(4-ethylphenyl)ethyl]urea.
What is the SMILES notation for 1-tert-butyl-3-[1-(4-ethylphenyl)ethyl]urea?
The canonical SMILES for 1-tert-butyl-3-[1-(4-ethylphenyl)ethyl]urea is CCc1ccc(C(C)NC(=O)NC(C)(C)C)cc1.
What is the InChIKey of 1-tert-butyl-3-[1-(4-ethylphenyl)ethyl]urea?
The InChIKey is NKKUDWVIBAESQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-6-12-7-9-13(10-8-12)11(2)16-14(18)17-15(3,4)5/h7-11H,6H2,1-5H3,(H2,16,17,18).
What are the key properties of 1-tert-butyl-3-[1-(4-ethylphenyl)ethyl]urea?
1-tert-butyl-3-[1-(4-ethylphenyl)ethyl]urea has a molecular weight of 248.37 g/mol, XLogP of 3.41, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-[1-(4-ethylphenyl)ethyl]urea is sourced from PubChem (CID 108896878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).