1-hydroxy-1-[1-[4-(2-methylpropyl)phenyl]ethyl]urea

C13H20N2O2 — CID 10561814

IUPAC1-hydroxy-1-[1-[4-(2-methylpropyl)phenyl]ethyl]urea
SMILESCC(C)Cc1ccc(C(C)N(O)C(N)=O)cc1
InChIInChI=1S/C13H20N2O2/c1-9(2)8-11-4-6-12(7-5-11)10(3)15(17)13(14)16/h4-7,9-10,17H,8H2,1-3H3,(H2,14,16)
InChIKeyFBLDKAJQWYMCKR-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.72
Rot. Bonds4

About 1-hydroxy-1-[1-[4-(2-methylpropyl)phenyl]ethyl]urea

1-hydroxy-1-[1-[4-(2-methylpropyl)phenyl]ethyl]urea (PubChem CID 10561814) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 1-hydroxy-1-[1-[4-(2-methylpropyl)phenyl]ethyl]urea.

Molecular Properties

Compound Name1-hydroxy-1-[1-[4-(2-methylpropyl)phenyl]ethyl]urea
PubChem CID10561814
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name1-hydroxy-1-[1-[4-(2-methylpropyl)phenyl]ethyl]urea
SMILESCC(C)Cc1ccc(C(C)N(O)C(N)=O)cc1
InChIInChI=1S/C13H20N2O2/c1-9(2)8-11-4-6-12(7-5-11)10(3)15(17)13(14)16/h4-7,9-10,17H,8H2,1-3H3,(H2,14,16)
InChIKeyFBLDKAJQWYMCKR-UHFFFAOYSA-N
XLogP2.72
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-Tert-butyl-3-(alpha-methylbenzyl)urea
CID 306576
N-[(4-methylphenyl)(phenyl)methyl]urea
CID 2850258
N-[1-(1,1''-biphenyl-4-yl)ethyl]-N-hydroxyurea
CID 10538999
N-hydroxy-N-[1-(4-methylphenyl)ethyl]urea
CID 10655427
N-Hydroxy-N-[1-(4-styryl-phenyl)-ethyl]-acetamide
CID 14156803
N-Hydroxy-N-[1-(4-isobutyl-phenyl)-ethyl]-acetamide
CID 44364306
N-cyclohexyl-N'-(4-methylbenzyl)urea
CID 840481
1-Benzyl-1-methylurea
CID 15676016
(2S)-N-hydroxy-4-methyl-2-[(4-methylphenyl)methylcarbamoylamino]pentanamide
CID 71459517
N-hydroxy-N-(1-phenylethyl)urea
CID 10375026
N-hydroxy-N''-[1-(4-isobutylphenyl)ethyl]urea
CID 10847424
N-[(2-methylphenyl)(4-methylphenyl)methyl]urea
CID 2853696

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-1-[1-[4-(2-methylpropyl)phenyl]ethyl]urea?
The IUPAC name of 1-hydroxy-1-[1-[4-(2-methylpropyl)phenyl]ethyl]urea (CID 10561814) is 1-hydroxy-1-[1-[4-(2-methylpropyl)phenyl]ethyl]urea.
What is the SMILES notation for 1-hydroxy-1-[1-[4-(2-methylpropyl)phenyl]ethyl]urea?
The canonical SMILES for 1-hydroxy-1-[1-[4-(2-methylpropyl)phenyl]ethyl]urea is CC(C)Cc1ccc(C(C)N(O)C(N)=O)cc1.
What is the InChIKey of 1-hydroxy-1-[1-[4-(2-methylpropyl)phenyl]ethyl]urea?
The InChIKey is FBLDKAJQWYMCKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-9(2)8-11-4-6-12(7-5-11)10(3)15(17)13(14)16/h4-7,9-10,17H,8H2,1-3H3,(H2,14,16).
What are the key properties of 1-hydroxy-1-[1-[4-(2-methylpropyl)phenyl]ethyl]urea?
1-hydroxy-1-[1-[4-(2-methylpropyl)phenyl]ethyl]urea has a molecular weight of 236.31 g/mol, XLogP of 2.72, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-1-[1-[4-(2-methylpropyl)phenyl]ethyl]urea is sourced from PubChem (CID 10561814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).