1-hydroxy-1-propan-2-yl-3-(2,4,5-trimethylphenyl)urea

C13H20N2O2 — CID 19967375

IUPAC1-hydroxy-1-propan-2-yl-3-(2,4,5-trimethylphenyl)urea
SMILESCc1cc(C)c(NC(=O)N(O)C(C)C)cc1C
InChIInChI=1S/C13H20N2O2/c1-8(2)15(17)13(16)14-12-7-10(4)9(3)6-11(12)5/h6-8,17H,1-5H3,(H,14,16)
InChIKeyMXUJUXFTGCXMIK-UHFFFAOYSA-N
MW236.31 g/mol
LogP3.24
Rot. Bonds2

About 1-hydroxy-1-propan-2-yl-3-(2,4,5-trimethylphenyl)urea

1-hydroxy-1-propan-2-yl-3-(2,4,5-trimethylphenyl)urea (PubChem CID 19967375) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 1-hydroxy-1-propan-2-yl-3-(2,4,5-trimethylphenyl)urea.

Molecular Properties

Compound Name1-hydroxy-1-propan-2-yl-3-(2,4,5-trimethylphenyl)urea
PubChem CID19967375
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name1-hydroxy-1-propan-2-yl-3-(2,4,5-trimethylphenyl)urea
SMILESCc1cc(C)c(NC(=O)N(O)C(C)C)cc1C
InChIInChI=1S/C13H20N2O2/c1-8(2)15(17)13(16)14-12-7-10(4)9(3)6-11(12)5/h6-8,17H,1-5H3,(H,14,16)
InChIKeyMXUJUXFTGCXMIK-UHFFFAOYSA-N
XLogP3.24
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 53.24
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

2-hydroxy-N-(2,4,5-trimethylphenyl)propanamide
CID 115140395
2-methyl-3-oxo-3-(2,4,5-trimethylanilino)propanoic acid
CID 115164126
N-(2,4,5-trimethylphenyl)carbamoyl fluoride
CID 88834231
N-[2,5-dimethyl-4-[(2-methyl-3-oxobutanoyl)amino]phenyl]-2-methyl-3-oxobutanamide
CID 21044969
3-methyl-2-(methylaminomethyl)-N-(2,4,5-trimethylphenyl)butanamide
CID 115187639
1-(4-amino-2,5-dimethylphenyl)-3-propan-2-ylurea
CID 103144772
1-(2,2-dimethoxyethyl)-3-(2,4,5-trimethylphenyl)urea
CID 3463712
N-[2,5-dimethyl-4-[(2-sulfanylacetyl)amino]phenyl]-2-sulfanylacetamide
CID 22182791
1-benzyl-1-[(4-butylphenyl)methyl]-3-(2,4,5-trimethylphenyl)urea
CID 15137604
3-[(5-bromo-4-fluoro-2-methylphenyl)carbamoyl-propan-2-ylamino]propanoic acid
CID 107593224
3-amino-N-(2,4,5-trimethylphenyl)cyclobutane-1-carboxamide
CID 115161310
N-(2-amino-4,5-dimethylphenyl)-3-methylbutanamide
CID 28691546

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-1-propan-2-yl-3-(2,4,5-trimethylphenyl)urea?
The IUPAC name of 1-hydroxy-1-propan-2-yl-3-(2,4,5-trimethylphenyl)urea (CID 19967375) is 1-hydroxy-1-propan-2-yl-3-(2,4,5-trimethylphenyl)urea.
What is the SMILES notation for 1-hydroxy-1-propan-2-yl-3-(2,4,5-trimethylphenyl)urea?
The canonical SMILES for 1-hydroxy-1-propan-2-yl-3-(2,4,5-trimethylphenyl)urea is Cc1cc(C)c(NC(=O)N(O)C(C)C)cc1C.
What is the InChIKey of 1-hydroxy-1-propan-2-yl-3-(2,4,5-trimethylphenyl)urea?
The InChIKey is MXUJUXFTGCXMIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-8(2)15(17)13(16)14-12-7-10(4)9(3)6-11(12)5/h6-8,17H,1-5H3,(H,14,16).
What are the key properties of 1-hydroxy-1-propan-2-yl-3-(2,4,5-trimethylphenyl)urea?
1-hydroxy-1-propan-2-yl-3-(2,4,5-trimethylphenyl)urea has a molecular weight of 236.31 g/mol, XLogP of 3.24, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-1-propan-2-yl-3-(2,4,5-trimethylphenyl)urea is sourced from PubChem (CID 19967375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).