3-[(4-tert-butylphenyl)methyl]-1-ethyl-1-(2-hydroxyethyl)urea

C16H26N2O2 — CID 110910290

IUPAC3-[(4-tert-butylphenyl)methyl]-1-ethyl-1-(2-hydroxyethyl)urea
SMILESCCN(CCO)C(=O)NCc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C16H26N2O2/c1-5-18(10-11-19)15(20)17-12-13-6-8-14(9-7-13)16(2,3)4/h6-9,19H,5,10-12H2,1-4H3,(H,17,20)
InChIKeyPWNWSASMXZSMKT-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.51
Rot. Bonds5

About 3-[(4-tert-butylphenyl)methyl]-1-ethyl-1-(2-hydroxyethyl)urea

3-[(4-tert-butylphenyl)methyl]-1-ethyl-1-(2-hydroxyethyl)urea (PubChem CID 110910290) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 3-[(4-tert-butylphenyl)methyl]-1-ethyl-1-(2-hydroxyethyl)urea.

Molecular Properties

Compound Name3-[(4-tert-butylphenyl)methyl]-1-ethyl-1-(2-hydroxyethyl)urea
PubChem CID110910290
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name3-[(4-tert-butylphenyl)methyl]-1-ethyl-1-(2-hydroxyethyl)urea
SMILESCCN(CCO)C(=O)NCc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C16H26N2O2/c1-5-18(10-11-19)15(20)17-12-13-6-8-14(9-7-13)16(2,3)4/h6-9,19H,5,10-12H2,1-4H3,(H,17,20)
InChIKeyPWNWSASMXZSMKT-UHFFFAOYSA-N
XLogP2.51
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(4-tert-butylphenyl)methyl]-1-(2-hydroxyethyl)-1-propylurea
CID 110910295
1-ethyl-1-(2-hydroxyethyl)-3-[(4-hydroxyphenyl)methyl]urea
CID 110895646
3-[(4-ethoxyphenyl)methyl]-1-ethyl-1-(2-hydroxyethyl)urea
CID 108884453
3-[3-(4-tert-butylphenoxy)propyl]-1-ethyl-1-(2-hydroxyethyl)urea
CID 108882833
3-[ethyl-[(4-ethylphenyl)methylcarbamoyl]amino]propanoic acid
CID 106900417
1-ethyl-3-[(2-ethylphenyl)methyl]-1-(2-hydroxyethyl)urea
CID 111455825
3-[[3-(dimethylamino)phenyl]methyl]-1-ethyl-1-(2-hydroxyethyl)urea
CID 110911020
4-tert-butyl-N-[3-[ethyl(2-hydroxyethyl)amino]-3-oxopropyl]benzamide
CID 78796540
3-[(4-bromophenyl)methyl]-1-butyl-1-(2-hydroxyethyl)urea
CID 111106652
1,1-diethyl-3-[(4-fluorophenyl)methyl]urea
CID 3851579
N-[(4-tert-butylphenyl)methyl]-2-hydroxyacetamide
CID 69343221
3-[[4-(benzimidazol-1-yl)phenyl]methyl]-1-ethyl-1-(2-hydroxyethyl)urea
CID 49133984

Frequently Asked Questions

What is the IUPAC name of 3-[(4-tert-butylphenyl)methyl]-1-ethyl-1-(2-hydroxyethyl)urea?
The IUPAC name of 3-[(4-tert-butylphenyl)methyl]-1-ethyl-1-(2-hydroxyethyl)urea (CID 110910290) is 3-[(4-tert-butylphenyl)methyl]-1-ethyl-1-(2-hydroxyethyl)urea.
What is the SMILES notation for 3-[(4-tert-butylphenyl)methyl]-1-ethyl-1-(2-hydroxyethyl)urea?
The canonical SMILES for 3-[(4-tert-butylphenyl)methyl]-1-ethyl-1-(2-hydroxyethyl)urea is CCN(CCO)C(=O)NCc1ccc(C(C)(C)C)cc1.
What is the InChIKey of 3-[(4-tert-butylphenyl)methyl]-1-ethyl-1-(2-hydroxyethyl)urea?
The InChIKey is PWNWSASMXZSMKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-5-18(10-11-19)15(20)17-12-13-6-8-14(9-7-13)16(2,3)4/h6-9,19H,5,10-12H2,1-4H3,(H,17,20).
What are the key properties of 3-[(4-tert-butylphenyl)methyl]-1-ethyl-1-(2-hydroxyethyl)urea?
3-[(4-tert-butylphenyl)methyl]-1-ethyl-1-(2-hydroxyethyl)urea has a molecular weight of 278.40 g/mol, XLogP of 2.51, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-tert-butylphenyl)methyl]-1-ethyl-1-(2-hydroxyethyl)urea is sourced from PubChem (CID 110910290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).