1-(4-hydroxy-3-methylbutan-2-yl)-3-[(4-methoxy-3-methylphenyl)methyl]urea

C15H24N2O3 — CID 111455101

IUPAC1-(4-hydroxy-3-methylbutan-2-yl)-3-[(4-methoxy-3-methylphenyl)methyl]urea
SMILESCOc1ccc(CNC(=O)NC(C)C(C)CO)cc1C
InChIInChI=1S/C15H24N2O3/c1-10-7-13(5-6-14(10)20-4)8-16-15(19)17-12(3)11(2)9-18/h5-7,11-12,18H,8-9H2,1-4H3,(H2,16,17,19)
InChIKeyPWIWDPUGJOUCAK-UHFFFAOYSA-N
MW280.37 g/mol
LogP1.82
Rot. Bonds6

About 1-(4-hydroxy-3-methylbutan-2-yl)-3-[(4-methoxy-3-methylphenyl)methyl]urea

1-(4-hydroxy-3-methylbutan-2-yl)-3-[(4-methoxy-3-methylphenyl)methyl]urea (PubChem CID 111455101) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is 1-(4-hydroxy-3-methylbutan-2-yl)-3-[(4-methoxy-3-methylphenyl)methyl]urea.

Molecular Properties

Compound Name1-(4-hydroxy-3-methylbutan-2-yl)-3-[(4-methoxy-3-methylphenyl)methyl]urea
PubChem CID111455101
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name1-(4-hydroxy-3-methylbutan-2-yl)-3-[(4-methoxy-3-methylphenyl)methyl]urea
SMILESCOc1ccc(CNC(=O)NC(C)C(C)CO)cc1C
InChIInChI=1S/C15H24N2O3/c1-10-7-13(5-6-14(10)20-4)8-16-15(19)17-12(3)11(2)9-18/h5-7,11-12,18H,8-9H2,1-4H3,(H2,16,17,19)
InChIKeyPWIWDPUGJOUCAK-UHFFFAOYSA-N
XLogP1.82
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-hydroxy-4-methylpentan-3-yl)-3-[(4-methoxy-3-methylphenyl)methyl]urea
CID 111505708
1-[(3-fluoro-4-methylphenyl)methyl]-3-(4-hydroxy-3-methylbutan-2-yl)urea
CID 111444613
1-[(3-fluoro-4-hydroxyphenyl)methyl]-3-(4-hydroxy-3-methylbutan-2-yl)urea
CID 111455721
1-(3-hydroxy-4-methylpentyl)-3-[(4-methoxy-3-methylphenyl)methyl]urea
CID 111505713
1-[(2S,4S)-4-(furan-2-yl)-4-hydroxybutan-2-yl]-3-[(4-methoxy-3-methylphenyl)methyl]urea
CID 97225190
3-amino-N-[(4-methoxy-3-methylphenyl)methyl]butanamide
CID 115154159
2-[(4-methoxy-3-methylphenyl)methylamino]propan-1-ol
CID 43776404
2-ethyl-N-[(4-methoxy-3-methylphenyl)methyl]butanamide
CID 110779755
1-[(4-methoxy-3-methylphenyl)methyl]-2-methyl-3-(3-methylbutan-2-yl)guanidine
CID 111001907
2,6-dimethoxy-N-[(4-methoxy-3-methylphenyl)methyl]benzamide
CID 110779766
1-(4-hydroxy-3-methylbutan-2-yl)-3-(thiophen-3-ylmethyl)urea
CID 111454363
4-[(4-methoxy-3-methylphenyl)methylamino]-3-methylbutanoic acid
CID 115219897

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxy-3-methylbutan-2-yl)-3-[(4-methoxy-3-methylphenyl)methyl]urea?
The IUPAC name of 1-(4-hydroxy-3-methylbutan-2-yl)-3-[(4-methoxy-3-methylphenyl)methyl]urea (CID 111455101) is 1-(4-hydroxy-3-methylbutan-2-yl)-3-[(4-methoxy-3-methylphenyl)methyl]urea.
What is the SMILES notation for 1-(4-hydroxy-3-methylbutan-2-yl)-3-[(4-methoxy-3-methylphenyl)methyl]urea?
The canonical SMILES for 1-(4-hydroxy-3-methylbutan-2-yl)-3-[(4-methoxy-3-methylphenyl)methyl]urea is COc1ccc(CNC(=O)NC(C)C(C)CO)cc1C.
What is the InChIKey of 1-(4-hydroxy-3-methylbutan-2-yl)-3-[(4-methoxy-3-methylphenyl)methyl]urea?
The InChIKey is PWIWDPUGJOUCAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-10-7-13(5-6-14(10)20-4)8-16-15(19)17-12(3)11(2)9-18/h5-7,11-12,18H,8-9H2,1-4H3,(H2,16,17,19).
What are the key properties of 1-(4-hydroxy-3-methylbutan-2-yl)-3-[(4-methoxy-3-methylphenyl)methyl]urea?
1-(4-hydroxy-3-methylbutan-2-yl)-3-[(4-methoxy-3-methylphenyl)methyl]urea has a molecular weight of 280.37 g/mol, XLogP of 1.82, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxy-3-methylbutan-2-yl)-3-[(4-methoxy-3-methylphenyl)methyl]urea is sourced from PubChem (CID 111455101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).