1-(2-hydroxy-3,3-dimethylbutyl)-3-(2-methylphenyl)urea

C14H22N2O2 — CID 111430906

IUPAC1-(2-hydroxy-3,3-dimethylbutyl)-3-(2-methylphenyl)urea
SMILESCc1ccccc1NC(=O)NCC(O)C(C)(C)C
InChIInChI=1S/C14H22N2O2/c1-10-7-5-6-8-11(10)16-13(18)15-9-12(17)14(2,3)4/h5-8,12,17H,9H2,1-4H3,(H2,15,16,18)
InChIKeySNDVDRFCDKJBDI-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.52
Rot. Bonds3

About 1-(2-hydroxy-3,3-dimethylbutyl)-3-(2-methylphenyl)urea

1-(2-hydroxy-3,3-dimethylbutyl)-3-(2-methylphenyl)urea (PubChem CID 111430906) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 1-(2-hydroxy-3,3-dimethylbutyl)-3-(2-methylphenyl)urea.

Molecular Properties

Compound Name1-(2-hydroxy-3,3-dimethylbutyl)-3-(2-methylphenyl)urea
PubChem CID111430906
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name1-(2-hydroxy-3,3-dimethylbutyl)-3-(2-methylphenyl)urea
SMILESCc1ccccc1NC(=O)NCC(O)C(C)(C)C
InChIInChI=1S/C14H22N2O2/c1-10-7-5-6-8-11(10)16-13(18)15-9-12(17)14(2,3)4/h5-8,12,17H,9H2,1-4H3,(H2,15,16,18)
InChIKeySNDVDRFCDKJBDI-UHFFFAOYSA-N
XLogP2.52
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(ethoxymethyl)phenyl]-3-(2-hydroxy-3,3-dimethylbutyl)urea
CID 111431488
1-(2-hydroxy-3,3-dimethylbutyl)-3-(4-methoxy-2-methylphenyl)urea
CID 111431598
1-(2-hydroxy-3,3-dimethylbutyl)-3-[2-(trifluoromethoxy)phenyl]urea
CID 111431252
N'-(2-ethylphenyl)-N-(2-hydroxy-3,3-dimethylbutyl)oxamide
CID 111121541
1-[(2R)-2-methoxy-2-(2-methylphenyl)ethyl]-3-(2-methylphenyl)urea
CID 97417882
(2S)-2-amino-3,3-dimethyl-N-(2-methylphenyl)butanamide;hydrochloride
CID 119670466
1-[(2R)-2-hydroxy-3,3-dimethylbutyl]-3-isoquinolin-5-ylurea
CID 95329190
1-[(2S)-2-[4-(dimethylamino)phenyl]-2-hydroxyethyl]-3-(2-methylphenyl)urea
CID 97106061
1-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 111119324
3,3-dimethyl-2-[(2-methylphenyl)carbamoylamino]butanoic acid
CID 61196857
1-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-3-(2-methylphenyl)urea
CID 71788722
1-(2-hydroxy-3-methoxy-2-methylpropyl)-3-(2-methylphenyl)urea
CID 56724275

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-3,3-dimethylbutyl)-3-(2-methylphenyl)urea?
The IUPAC name of 1-(2-hydroxy-3,3-dimethylbutyl)-3-(2-methylphenyl)urea (CID 111430906) is 1-(2-hydroxy-3,3-dimethylbutyl)-3-(2-methylphenyl)urea.
What is the SMILES notation for 1-(2-hydroxy-3,3-dimethylbutyl)-3-(2-methylphenyl)urea?
The canonical SMILES for 1-(2-hydroxy-3,3-dimethylbutyl)-3-(2-methylphenyl)urea is Cc1ccccc1NC(=O)NCC(O)C(C)(C)C.
What is the InChIKey of 1-(2-hydroxy-3,3-dimethylbutyl)-3-(2-methylphenyl)urea?
The InChIKey is SNDVDRFCDKJBDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-10-7-5-6-8-11(10)16-13(18)15-9-12(17)14(2,3)4/h5-8,12,17H,9H2,1-4H3,(H2,15,16,18).
What are the key properties of 1-(2-hydroxy-3,3-dimethylbutyl)-3-(2-methylphenyl)urea?
1-(2-hydroxy-3,3-dimethylbutyl)-3-(2-methylphenyl)urea has a molecular weight of 250.34 g/mol, XLogP of 2.52, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-3,3-dimethylbutyl)-3-(2-methylphenyl)urea is sourced from PubChem (CID 111430906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).