1-[2-(4-tert-butylphenyl)-2-hydroxyethyl]-3-ethylurea

C15H24N2O2 — CID 111422305

IUPAC1-[2-(4-tert-butylphenyl)-2-hydroxyethyl]-3-ethylurea
SMILESCCNC(=O)NCC(O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C15H24N2O2/c1-5-16-14(19)17-10-13(18)11-6-8-12(9-7-11)15(2,3)4/h6-9,13,18H,5,10H2,1-4H3,(H2,16,17,19)
InChIKeyPELMKIIJQJEWBL-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.34
Rot. Bonds4

About 1-[2-(4-tert-butylphenyl)-2-hydroxyethyl]-3-ethylurea

1-[2-(4-tert-butylphenyl)-2-hydroxyethyl]-3-ethylurea (PubChem CID 111422305) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 1-[2-(4-tert-butylphenyl)-2-hydroxyethyl]-3-ethylurea.

Molecular Properties

Compound Name1-[2-(4-tert-butylphenyl)-2-hydroxyethyl]-3-ethylurea
PubChem CID111422305
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name1-[2-(4-tert-butylphenyl)-2-hydroxyethyl]-3-ethylurea
SMILESCCNC(=O)NCC(O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C15H24N2O2/c1-5-16-14(19)17-10-13(18)11-6-8-12(9-7-11)15(2,3)4/h6-9,13,18H,5,10H2,1-4H3,(H2,16,17,19)
InChIKeyPELMKIIJQJEWBL-UHFFFAOYSA-N
XLogP2.34
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[[2-(4-tert-butylphenyl)-2-hydroxyethyl]carbamoylamino]methyl]benzoic acid
CID 122021116
1-(4-tert-butylphenyl)-3-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]urea
CID 90582092
2-[[[[2-(4-tert-butylphenyl)-2-hydroxyethyl]amino]-(ethylamino)methylidene]amino]-N-propylacetamide
CID 109493117
1-amino-N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]cyclopropane-1-carboxamide
CID 119792619
3-amino-N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]propanamide;hydrochloride
CID 119328649
3-amino-N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]butanamide
CID 119792655
2-amino-N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]-2-phenylacetamide;hydrochloride
CID 119328661
2-amino-N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]-3-methylpentanamide;hydrochloride
CID 119792652
1-[2-(4-tert-butylphenyl)-2-hydroxyethyl]-2-(2,2-difluoroethyl)-3-ethylguanidine
CID 109493067
(1S)-2-(tert-butylamino)-1-(4-tert-butylphenyl)ethanol
CID 39352535
1-[2-(4-tert-butylphenyl)-2-hydroxyethyl]-3-(2-propan-2-ylpyrazol-3-yl)urea
CID 111422275
4-amino-N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]butanamide;hydrochloride
CID 119328673

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-tert-butylphenyl)-2-hydroxyethyl]-3-ethylurea?
The IUPAC name of 1-[2-(4-tert-butylphenyl)-2-hydroxyethyl]-3-ethylurea (CID 111422305) is 1-[2-(4-tert-butylphenyl)-2-hydroxyethyl]-3-ethylurea.
What is the SMILES notation for 1-[2-(4-tert-butylphenyl)-2-hydroxyethyl]-3-ethylurea?
The canonical SMILES for 1-[2-(4-tert-butylphenyl)-2-hydroxyethyl]-3-ethylurea is CCNC(=O)NCC(O)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of 1-[2-(4-tert-butylphenyl)-2-hydroxyethyl]-3-ethylurea?
The InChIKey is PELMKIIJQJEWBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-5-16-14(19)17-10-13(18)11-6-8-12(9-7-11)15(2,3)4/h6-9,13,18H,5,10H2,1-4H3,(H2,16,17,19).
What are the key properties of 1-[2-(4-tert-butylphenyl)-2-hydroxyethyl]-3-ethylurea?
1-[2-(4-tert-butylphenyl)-2-hydroxyethyl]-3-ethylurea has a molecular weight of 264.37 g/mol, XLogP of 2.34, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-tert-butylphenyl)-2-hydroxyethyl]-3-ethylurea is sourced from PubChem (CID 111422305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).