1-(1-cyclopropylethyl)-3-[1-(4-ethylphenyl)ethyl]-1-methylurea

C17H26N2O — CID 86812581

IUPAC1-(1-cyclopropylethyl)-3-[1-(4-ethylphenyl)ethyl]-1-methylurea
SMILESCCc1ccc(C(C)NC(=O)N(C)C(C)C2CC2)cc1
InChIInChI=1S/C17H26N2O/c1-5-14-6-8-15(9-7-14)12(2)18-17(20)19(4)13(3)16-10-11-16/h6-9,12-13,16H,5,10-11H2,1-4H3,(H,18,20)
InChIKeyUYXSWACHQABSDS-UHFFFAOYSA-N
MW274.41 g/mol
LogP3.75
Rot. Bonds5

About 1-(1-cyclopropylethyl)-3-[1-(4-ethylphenyl)ethyl]-1-methylurea

1-(1-cyclopropylethyl)-3-[1-(4-ethylphenyl)ethyl]-1-methylurea (PubChem CID 86812581) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 1-(1-cyclopropylethyl)-3-[1-(4-ethylphenyl)ethyl]-1-methylurea.

Molecular Properties

Compound Name1-(1-cyclopropylethyl)-3-[1-(4-ethylphenyl)ethyl]-1-methylurea
PubChem CID86812581
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name1-(1-cyclopropylethyl)-3-[1-(4-ethylphenyl)ethyl]-1-methylurea
SMILESCCc1ccc(C(C)NC(=O)N(C)C(C)C2CC2)cc1
InChIInChI=1S/C17H26N2O/c1-5-14-6-8-15(9-7-14)12(2)18-17(20)19(4)13(3)16-10-11-16/h6-9,12-13,16H,5,10-11H2,1-4H3,(H,18,20)
InChIKeyUYXSWACHQABSDS-UHFFFAOYSA-N
XLogP3.75
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-[(1R)-1-(4-ethylphenyl)ethyl]-1-methyl-1-[(1R)-1-(4-methylsulfonylphenyl)ethyl]urea
CID 100657764
3-[1-(4-ethylphenyl)ethyl]-1-methyl-1-[1-(4-methylsulfonylphenyl)ethyl]urea
CID 119032263
2-[cycloheptyl(methyl)amino]-N-[1-(4-ethylphenyl)ethyl]acetamide
CID 18291170
1-cyclopentyl-3-[1-(4-ethylphenyl)ethyl]urea
CID 47128258
N-[1-(4-ethylphenyl)ethyl]-3-oxobutanamide
CID 54896208
3-[1-(4-ethylphenyl)ethylamino]-3-oxopropanoic acid
CID 55049684
N-[1-(4-ethylphenyl)ethyl]-2-oxo-2-pyrrolidin-1-ylacetamide
CID 108510968
1-(cyclohexylmethyl)-3-[1-(4-ethylphenyl)ethyl]urea
CID 108902838
1-tert-butyl-3-[1-(4-ethylphenyl)ethyl]urea
CID 108896878
1-cyclopropyl-3-[1-(4-ethylphenyl)ethyl]thiourea
CID 19675096
(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

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclopropylethyl)-3-[1-(4-ethylphenyl)ethyl]-1-methylurea?
The IUPAC name of 1-(1-cyclopropylethyl)-3-[1-(4-ethylphenyl)ethyl]-1-methylurea (CID 86812581) is 1-(1-cyclopropylethyl)-3-[1-(4-ethylphenyl)ethyl]-1-methylurea.
What is the SMILES notation for 1-(1-cyclopropylethyl)-3-[1-(4-ethylphenyl)ethyl]-1-methylurea?
The canonical SMILES for 1-(1-cyclopropylethyl)-3-[1-(4-ethylphenyl)ethyl]-1-methylurea is CCc1ccc(C(C)NC(=O)N(C)C(C)C2CC2)cc1.
What is the InChIKey of 1-(1-cyclopropylethyl)-3-[1-(4-ethylphenyl)ethyl]-1-methylurea?
The InChIKey is UYXSWACHQABSDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-5-14-6-8-15(9-7-14)12(2)18-17(20)19(4)13(3)16-10-11-16/h6-9,12-13,16H,5,10-11H2,1-4H3,(H,18,20).
What are the key properties of 1-(1-cyclopropylethyl)-3-[1-(4-ethylphenyl)ethyl]-1-methylurea?
1-(1-cyclopropylethyl)-3-[1-(4-ethylphenyl)ethyl]-1-methylurea has a molecular weight of 274.41 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclopropylethyl)-3-[1-(4-ethylphenyl)ethyl]-1-methylurea is sourced from PubChem (CID 86812581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).