1-(2-hydroxy-3,3-dimethylbutyl)-3-[(2-methoxyphenyl)methyl]urea

C15H24N2O3 — CID 111119483

IUPAC1-(2-hydroxy-3,3-dimethylbutyl)-3-[(2-methoxyphenyl)methyl]urea
SMILESCOc1ccccc1CNC(=O)NCC(O)C(C)(C)C
InChIInChI=1S/C15H24N2O3/c1-15(2,3)13(18)10-17-14(19)16-9-11-7-5-6-8-12(11)20-4/h5-8,13,18H,9-10H2,1-4H3,(H2,16,17,19)
InChIKeyURCSRXAUINGJRB-UHFFFAOYSA-N
MW280.37 g/mol
LogP1.90
Rot. Bonds5

About 1-(2-hydroxy-3,3-dimethylbutyl)-3-[(2-methoxyphenyl)methyl]urea

1-(2-hydroxy-3,3-dimethylbutyl)-3-[(2-methoxyphenyl)methyl]urea (PubChem CID 111119483) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is 1-(2-hydroxy-3,3-dimethylbutyl)-3-[(2-methoxyphenyl)methyl]urea.

Molecular Properties

Compound Name1-(2-hydroxy-3,3-dimethylbutyl)-3-[(2-methoxyphenyl)methyl]urea
PubChem CID111119483
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name1-(2-hydroxy-3,3-dimethylbutyl)-3-[(2-methoxyphenyl)methyl]urea
SMILESCOc1ccccc1CNC(=O)NCC(O)C(C)(C)C
InChIInChI=1S/C15H24N2O3/c1-15(2,3)13(18)10-17-14(19)16-9-11-7-5-6-8-12(11)20-4/h5-8,13,18H,9-10H2,1-4H3,(H2,16,17,19)
InChIKeyURCSRXAUINGJRB-UHFFFAOYSA-N
XLogP1.90
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2-ethoxyphenyl)methyl]-3-(2-hydroxy-3,3-dimethylbutyl)urea
CID 111338222
1-(3-ethyl-2-hydroxypentyl)-3-[(2-methoxyphenyl)methyl]urea
CID 111115085
1-ethyl-3-[(2-methoxyphenyl)methyl]urea
CID 38151032
3-[(2-methoxyphenyl)methylcarbamoylamino]-2-methylpropanoic acid
CID 62669746
1-[(2-methoxyphenyl)methyl]-3-(2-phenylpropyl)urea
CID 51291119
1-[(2-methoxyphenyl)methyl]-3-propylurea
CID 94828368
1-[(2-methoxyphenyl)methyl]-3-propan-2-ylurea
CID 23548352
tert-butyl N-[(2-methoxyphenyl)methyl]carbamate;hydrochloride
CID 174676513
methyl 2-[(2-methoxyphenyl)methylcarbamoylamino]-3-methylbutanoate
CID 4043344
1-[1-(4-tert-butylphenyl)ethyl]-3-[(2-methoxyphenyl)methyl]urea
CID 60541279
N-[(2-methoxyphenyl)methyl]-2-methyl-2-(methylamino)propanamide
CID 62834293
1-[(2,4-dimethylphenyl)methyl]-3-(2-hydroxy-3,3-dimethylbutyl)urea
CID 111338177

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-3,3-dimethylbutyl)-3-[(2-methoxyphenyl)methyl]urea?
The IUPAC name of 1-(2-hydroxy-3,3-dimethylbutyl)-3-[(2-methoxyphenyl)methyl]urea (CID 111119483) is 1-(2-hydroxy-3,3-dimethylbutyl)-3-[(2-methoxyphenyl)methyl]urea.
What is the SMILES notation for 1-(2-hydroxy-3,3-dimethylbutyl)-3-[(2-methoxyphenyl)methyl]urea?
The canonical SMILES for 1-(2-hydroxy-3,3-dimethylbutyl)-3-[(2-methoxyphenyl)methyl]urea is COc1ccccc1CNC(=O)NCC(O)C(C)(C)C.
What is the InChIKey of 1-(2-hydroxy-3,3-dimethylbutyl)-3-[(2-methoxyphenyl)methyl]urea?
The InChIKey is URCSRXAUINGJRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-15(2,3)13(18)10-17-14(19)16-9-11-7-5-6-8-12(11)20-4/h5-8,13,18H,9-10H2,1-4H3,(H2,16,17,19).
What are the key properties of 1-(2-hydroxy-3,3-dimethylbutyl)-3-[(2-methoxyphenyl)methyl]urea?
1-(2-hydroxy-3,3-dimethylbutyl)-3-[(2-methoxyphenyl)methyl]urea has a molecular weight of 280.37 g/mol, XLogP of 1.90, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-3,3-dimethylbutyl)-3-[(2-methoxyphenyl)methyl]urea is sourced from PubChem (CID 111119483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).