1-(3-formyl-2-methylphenyl)-3-(1-hydroxy-3,3-dimethylbutan-2-yl)urea

C15H22N2O3 — CID 90106150

IUPAC1-(3-formyl-2-methylphenyl)-3-(1-hydroxy-3,3-dimethylbutan-2-yl)urea
SMILESCc1c(C=O)cccc1NC(=O)NC(CO)C(C)(C)C
InChIInChI=1S/C15H22N2O3/c1-10-11(8-18)6-5-7-12(10)16-14(20)17-13(9-19)15(2,3)4/h5-8,13,19H,9H2,1-4H3,(H2,16,17,20)
InChIKeyBDWAMCAOWNXPNR-UHFFFAOYSA-N
MW278.35 g/mol
LogP2.34
Rot. Bonds4

About 1-(3-formyl-2-methylphenyl)-3-(1-hydroxy-3,3-dimethylbutan-2-yl)urea

1-(3-formyl-2-methylphenyl)-3-(1-hydroxy-3,3-dimethylbutan-2-yl)urea (PubChem CID 90106150) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 1-(3-formyl-2-methylphenyl)-3-(1-hydroxy-3,3-dimethylbutan-2-yl)urea.

Molecular Properties

Compound Name1-(3-formyl-2-methylphenyl)-3-(1-hydroxy-3,3-dimethylbutan-2-yl)urea
PubChem CID90106150
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name1-(3-formyl-2-methylphenyl)-3-(1-hydroxy-3,3-dimethylbutan-2-yl)urea
SMILESCc1c(C=O)cccc1NC(=O)NC(CO)C(C)(C)C
InChIInChI=1S/C15H22N2O3/c1-10-11(8-18)6-5-7-12(10)16-14(20)17-13(9-19)15(2,3)4/h5-8,13,19H,9H2,1-4H3,(H2,16,17,20)
InChIKeyBDWAMCAOWNXPNR-UHFFFAOYSA-N
XLogP2.34
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 52.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

1-(3-chlorophenyl)-3-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]urea
CID 96504157
1-(2,3-dimethylphenyl)-3-(1-hydroxypropan-2-yl)urea
CID 110890295
1-(3-fluoro-2-methylphenyl)-3-(2-hydroxy-1-phenylethyl)urea
CID 111521359
1-(1,4-dimethyl-2-oxo-3-pyridinyl)-3-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]urea
CID 91660293
(2S)-2-[(3-chloro-2-methylphenyl)carbamoylamino]-3-hydroxypropanoic acid
CID 61183463
N-(3-formyl-2-methylphenyl)-3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)azetidine-1-carboxamide
CID 90105368
1-tert-butyl-3-[3-(tert-butylcarbamoylamino)-2-methylphenyl]urea
CID 58918478
2-amino-N-(2,3-dimethylphenyl)-3,3-dimethylbutanamide
CID 76892662
2-[(3-fluoro-2-methylphenyl)carbamoyl]-3,3-dimethylbutanoic acid
CID 116536988
1-(2,3-dimethylphenyl)-3-(4-hydroxy-2-methylbutan-2-yl)urea
CID 111754138
N-(3-formyl-2-methylphenyl)-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 90105569
1-(4-tert-butylpyrimidin-2-yl)-3-[(2R)-1-hydroxy-3,3-dimethylbutan-2-yl]urea
CID 164637913

Frequently Asked Questions

What is the IUPAC name of 1-(3-formyl-2-methylphenyl)-3-(1-hydroxy-3,3-dimethylbutan-2-yl)urea?
The IUPAC name of 1-(3-formyl-2-methylphenyl)-3-(1-hydroxy-3,3-dimethylbutan-2-yl)urea (CID 90106150) is 1-(3-formyl-2-methylphenyl)-3-(1-hydroxy-3,3-dimethylbutan-2-yl)urea.
What is the SMILES notation for 1-(3-formyl-2-methylphenyl)-3-(1-hydroxy-3,3-dimethylbutan-2-yl)urea?
The canonical SMILES for 1-(3-formyl-2-methylphenyl)-3-(1-hydroxy-3,3-dimethylbutan-2-yl)urea is Cc1c(C=O)cccc1NC(=O)NC(CO)C(C)(C)C.
What is the InChIKey of 1-(3-formyl-2-methylphenyl)-3-(1-hydroxy-3,3-dimethylbutan-2-yl)urea?
The InChIKey is BDWAMCAOWNXPNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-10-11(8-18)6-5-7-12(10)16-14(20)17-13(9-19)15(2,3)4/h5-8,13,19H,9H2,1-4H3,(H2,16,17,20).
What are the key properties of 1-(3-formyl-2-methylphenyl)-3-(1-hydroxy-3,3-dimethylbutan-2-yl)urea?
1-(3-formyl-2-methylphenyl)-3-(1-hydroxy-3,3-dimethylbutan-2-yl)urea has a molecular weight of 278.35 g/mol, XLogP of 2.34, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-formyl-2-methylphenyl)-3-(1-hydroxy-3,3-dimethylbutan-2-yl)urea is sourced from PubChem (CID 90106150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).