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

C16H26N2O3 — CID 111505708

IUPAC1-(1-hydroxy-4-methylpentan-3-yl)-3-[(4-methoxy-3-methylphenyl)methyl]urea
SMILESCOc1ccc(CNC(=O)NC(CCO)C(C)C)cc1C
InChIInChI=1S/C16H26N2O3/c1-11(2)14(7-8-19)18-16(20)17-10-13-5-6-15(21-4)12(3)9-13/h5-6,9,11,14,19H,7-8,10H2,1-4H3,(H2,17,18,20)
InChIKeyIXPYHBZEPNTMNB-UHFFFAOYSA-N
MW294.39 g/mol
LogP2.21
Rot. Bonds7

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

1-(1-hydroxy-4-methylpentan-3-yl)-3-[(4-methoxy-3-methylphenyl)methyl]urea (PubChem CID 111505708) has the molecular formula C16H26N2O3 and a molecular weight of 294.39 g/mol. Its IUPAC name is 1-(1-hydroxy-4-methylpentan-3-yl)-3-[(4-methoxy-3-methylphenyl)methyl]urea.

Molecular Properties

Compound Name1-(1-hydroxy-4-methylpentan-3-yl)-3-[(4-methoxy-3-methylphenyl)methyl]urea
PubChem CID111505708
Molecular FormulaC16H26N2O3
Molecular Weight294.39 g/mol
Exact Mass294.19
IUPAC Name1-(1-hydroxy-4-methylpentan-3-yl)-3-[(4-methoxy-3-methylphenyl)methyl]urea
SMILESCOc1ccc(CNC(=O)NC(CCO)C(C)C)cc1C
InChIInChI=1S/C16H26N2O3/c1-11(2)14(7-8-19)18-16(20)17-10-13-5-6-15(21-4)12(3)9-13/h5-6,9,11,14,19H,7-8,10H2,1-4H3,(H2,17,18,20)
InChIKeyIXPYHBZEPNTMNB-UHFFFAOYSA-N
XLogP2.21
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 52.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-hydroxy-3-methylbutan-2-yl)-3-[(4-methoxy-3-methylphenyl)methyl]urea
CID 111455101
1-(3-hydroxy-4-methylpentyl)-3-[(4-methoxy-3-methylphenyl)methyl]urea
CID 111505713
1-[(4-bromophenyl)methyl]-3-(1-hydroxy-4-methylpentan-3-yl)urea
CID 111506072
3-amino-N-[(4-methoxy-3-methylphenyl)methyl]butanamide
CID 115154159
1-[(2S,4S)-4-(furan-2-yl)-4-hydroxybutan-2-yl]-3-[(4-methoxy-3-methylphenyl)methyl]urea
CID 97225190
1-[(4-ethoxy-3-methylphenyl)methyl]-3-(4-hydroxy-2-methylbutyl)urea
CID 111506228
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
2-[(4-methoxy-3-methylphenyl)methylamino]propan-1-ol
CID 43776404
4-[[(1-hydroxy-4-methylpentan-3-yl)amino]methyl]-2-methoxyphenol
CID 113357900
4-[(4-methoxy-3-methylphenyl)methylamino]-3-methylbutanoic acid
CID 115219897

Frequently Asked Questions

What is the IUPAC name of 1-(1-hydroxy-4-methylpentan-3-yl)-3-[(4-methoxy-3-methylphenyl)methyl]urea?
The IUPAC name of 1-(1-hydroxy-4-methylpentan-3-yl)-3-[(4-methoxy-3-methylphenyl)methyl]urea (CID 111505708) is 1-(1-hydroxy-4-methylpentan-3-yl)-3-[(4-methoxy-3-methylphenyl)methyl]urea.
What is the SMILES notation for 1-(1-hydroxy-4-methylpentan-3-yl)-3-[(4-methoxy-3-methylphenyl)methyl]urea?
The canonical SMILES for 1-(1-hydroxy-4-methylpentan-3-yl)-3-[(4-methoxy-3-methylphenyl)methyl]urea is COc1ccc(CNC(=O)NC(CCO)C(C)C)cc1C.
What is the InChIKey of 1-(1-hydroxy-4-methylpentan-3-yl)-3-[(4-methoxy-3-methylphenyl)methyl]urea?
The InChIKey is IXPYHBZEPNTMNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-11(2)14(7-8-19)18-16(20)17-10-13-5-6-15(21-4)12(3)9-13/h5-6,9,11,14,19H,7-8,10H2,1-4H3,(H2,17,18,20).
What are the key properties of 1-(1-hydroxy-4-methylpentan-3-yl)-3-[(4-methoxy-3-methylphenyl)methyl]urea?
1-(1-hydroxy-4-methylpentan-3-yl)-3-[(4-methoxy-3-methylphenyl)methyl]urea has a molecular weight of 294.39 g/mol, XLogP of 2.21, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-hydroxy-4-methylpentan-3-yl)-3-[(4-methoxy-3-methylphenyl)methyl]urea is sourced from PubChem (CID 111505708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).