1-(4-ethylphenyl)-3-(4-hydroxy-2-methylbutyl)urea

C14H22N2O2 — CID 111473009

IUPAC1-(4-ethylphenyl)-3-(4-hydroxy-2-methylbutyl)urea
SMILESCCc1ccc(NC(=O)NCC(C)CCO)cc1
InChIInChI=1S/C14H22N2O2/c1-3-12-4-6-13(7-5-12)16-14(18)15-10-11(2)8-9-17/h4-7,11,17H,3,8-10H2,1-2H3,(H2,15,16,18)
InChIKeyNDTMPIMDDUOGBU-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.39
Rot. Bonds6

About 1-(4-ethylphenyl)-3-(4-hydroxy-2-methylbutyl)urea

1-(4-ethylphenyl)-3-(4-hydroxy-2-methylbutyl)urea (PubChem CID 111473009) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-3-(4-hydroxy-2-methylbutyl)urea.

Molecular Properties

Compound Name1-(4-ethylphenyl)-3-(4-hydroxy-2-methylbutyl)urea
PubChem CID111473009
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name1-(4-ethylphenyl)-3-(4-hydroxy-2-methylbutyl)urea
SMILESCCc1ccc(NC(=O)NCC(C)CCO)cc1
InChIInChI=1S/C14H22N2O2/c1-3-12-4-6-13(7-5-12)16-14(18)15-10-11(2)8-9-17/h4-7,11,17H,3,8-10H2,1-2H3,(H2,15,16,18)
InChIKeyNDTMPIMDDUOGBU-UHFFFAOYSA-N
XLogP2.39
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-hydroxy-2-methylbutyl)-3-(4-phenylphenyl)urea
CID 111472820
1-(4-hydroxy-2-methylbutyl)-3-[4-(3-methylbutoxy)phenyl]urea
CID 111521334
1-ethyl-3-(4-ethylphenyl)urea
CID 20721116
1-(4-ethylphenyl)-3-(1-hydroxypentan-3-yl)urea
CID 111452689
1-(3-bromo-4-chlorophenyl)-3-[(2R)-4-hydroxy-2-methylbutyl]urea
CID 97320276
1-[4-(3-fluorophenoxy)phenyl]-3-(4-hydroxy-2-methylbutyl)urea
CID 111473971
3-(4-ethylphenyl)-N-(4-hydroxy-2-methylbutyl)prop-2-enamide
CID 77112880
2-[(4-ethylphenyl)carbamoylamino]propanoic acid
CID 4026936
1-(4-ethylphenyl)-3-(4-propan-2-ylphenyl)urea
CID 4111810
1-(3-cyano-4-fluorophenyl)-3-(4-hydroxy-2-methylbutyl)urea
CID 111474619
1-(4-hydroxy-2-methylbutyl)-3-(2-methyl-1H-indol-5-yl)urea
CID 111474667
1-(4-chlorophenyl)-3-(3-hydroxy-2-methylpropyl)urea
CID 61355731

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-3-(4-hydroxy-2-methylbutyl)urea?
The IUPAC name of 1-(4-ethylphenyl)-3-(4-hydroxy-2-methylbutyl)urea (CID 111473009) is 1-(4-ethylphenyl)-3-(4-hydroxy-2-methylbutyl)urea.
What is the SMILES notation for 1-(4-ethylphenyl)-3-(4-hydroxy-2-methylbutyl)urea?
The canonical SMILES for 1-(4-ethylphenyl)-3-(4-hydroxy-2-methylbutyl)urea is CCc1ccc(NC(=O)NCC(C)CCO)cc1.
What is the InChIKey of 1-(4-ethylphenyl)-3-(4-hydroxy-2-methylbutyl)urea?
The InChIKey is NDTMPIMDDUOGBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-3-12-4-6-13(7-5-12)16-14(18)15-10-11(2)8-9-17/h4-7,11,17H,3,8-10H2,1-2H3,(H2,15,16,18).
What are the key properties of 1-(4-ethylphenyl)-3-(4-hydroxy-2-methylbutyl)urea?
1-(4-ethylphenyl)-3-(4-hydroxy-2-methylbutyl)urea has a molecular weight of 250.34 g/mol, XLogP of 2.39, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-3-(4-hydroxy-2-methylbutyl)urea is sourced from PubChem (CID 111473009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).