1-hydroxy-3-[2-[4-(2-methylpropyl)phenyl]propyl]urea

C14H22N2O2 — CID 19985582

IUPAC1-hydroxy-3-[2-[4-(2-methylpropyl)phenyl]propyl]urea
SMILESCC(C)Cc1ccc(C(C)CNC(=O)NO)cc1
InChIInChI=1S/C14H22N2O2/c1-10(2)8-12-4-6-13(7-5-12)11(3)9-15-14(17)16-18/h4-7,10-11,18H,8-9H2,1-3H3,(H2,15,16,17)
InChIKeySHBXJGDCYSEWDF-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.68
Rot. Bonds5

About 1-hydroxy-3-[2-[4-(2-methylpropyl)phenyl]propyl]urea

1-hydroxy-3-[2-[4-(2-methylpropyl)phenyl]propyl]urea (PubChem CID 19985582) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 1-hydroxy-3-[2-[4-(2-methylpropyl)phenyl]propyl]urea.

Molecular Properties

Compound Name1-hydroxy-3-[2-[4-(2-methylpropyl)phenyl]propyl]urea
PubChem CID19985582
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name1-hydroxy-3-[2-[4-(2-methylpropyl)phenyl]propyl]urea
SMILESCC(C)Cc1ccc(C(C)CNC(=O)NO)cc1
InChIInChI=1S/C14H22N2O2/c1-10(2)8-12-4-6-13(7-5-12)11(3)9-15-14(17)16-18/h4-7,10-11,18H,8-9H2,1-3H3,(H2,15,16,17)
InChIKeySHBXJGDCYSEWDF-UHFFFAOYSA-N
XLogP2.68
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.68
H-Bond Donors ≤ 53
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

3,5-dimethoxy-N-[(2S)-2-[4-(2-methylpropyl)phenyl]propyl]benzamide
CID 102377978
3,3,3-trideuterio-N-hydroxy-2-[4-(2-methylpropyl)phenyl]propanamide
CID 169442366
1-[(2S)-1-bromopropan-2-yl]-4-(2-methylpropyl)benzene
CID 11043315
2-[4-(2-methylpropyl)phenyl]propyl acetate
CID 12905360
1-(1-methoxypropan-2-yl)-4-(2-methylpropyl)benzene
CID 134395846
4-[[2-(dimethylamino)-2-[4-(2-methylpropyl)phenyl]ethyl]carbamoylamino]butanoic acid
CID 122014426
CID 175760114
CID 175760114
Ibuprofen (sodium)
CID 45052535
ethane;3-[4-(2-methylpropyl)phenyl]butan-2-one
CID 144564568
(2R)-2-hydroxy-2-[4-(2-methylpropyl)phenyl]acetic acid
CID 45117198
(5S)-5-[4-(2-methylpropyl)phenyl]hexane-2,4-dione
CID 69060435
2-[4-(2-methylpropyl)phenyl]propanehydrazide
CID 2736674

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-3-[2-[4-(2-methylpropyl)phenyl]propyl]urea?
The IUPAC name of 1-hydroxy-3-[2-[4-(2-methylpropyl)phenyl]propyl]urea (CID 19985582) is 1-hydroxy-3-[2-[4-(2-methylpropyl)phenyl]propyl]urea.
What is the SMILES notation for 1-hydroxy-3-[2-[4-(2-methylpropyl)phenyl]propyl]urea?
The canonical SMILES for 1-hydroxy-3-[2-[4-(2-methylpropyl)phenyl]propyl]urea is CC(C)Cc1ccc(C(C)CNC(=O)NO)cc1.
What is the InChIKey of 1-hydroxy-3-[2-[4-(2-methylpropyl)phenyl]propyl]urea?
The InChIKey is SHBXJGDCYSEWDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-10(2)8-12-4-6-13(7-5-12)11(3)9-15-14(17)16-18/h4-7,10-11,18H,8-9H2,1-3H3,(H2,15,16,17).
What are the key properties of 1-hydroxy-3-[2-[4-(2-methylpropyl)phenyl]propyl]urea?
1-hydroxy-3-[2-[4-(2-methylpropyl)phenyl]propyl]urea has a molecular weight of 250.34 g/mol, XLogP of 2.68, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-3-[2-[4-(2-methylpropyl)phenyl]propyl]urea is sourced from PubChem (CID 19985582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).