1-(2-hydroxy-4-methylpentyl)-3-[(3-methylphenyl)methyl]urea

C15H24N2O2 — CID 110910094

IUPAC1-(2-hydroxy-4-methylpentyl)-3-[(3-methylphenyl)methyl]urea
SMILESCc1cccc(CNC(=O)NCC(O)CC(C)C)c1
InChIInChI=1S/C15H24N2O2/c1-11(2)7-14(18)10-17-15(19)16-9-13-6-4-5-12(3)8-13/h4-6,8,11,14,18H,7,9-10H2,1-3H3,(H2,16,17,19)
InChIKeyQHKYYRYOKLSPGJ-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.20
Rot. Bonds6

About 1-(2-hydroxy-4-methylpentyl)-3-[(3-methylphenyl)methyl]urea

1-(2-hydroxy-4-methylpentyl)-3-[(3-methylphenyl)methyl]urea (PubChem CID 110910094) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 1-(2-hydroxy-4-methylpentyl)-3-[(3-methylphenyl)methyl]urea.

Molecular Properties

Compound Name1-(2-hydroxy-4-methylpentyl)-3-[(3-methylphenyl)methyl]urea
PubChem CID110910094
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name1-(2-hydroxy-4-methylpentyl)-3-[(3-methylphenyl)methyl]urea
SMILESCc1cccc(CNC(=O)NCC(O)CC(C)C)c1
InChIInChI=1S/C15H24N2O2/c1-11(2)7-14(18)10-17-15(19)16-9-13-6-4-5-12(3)8-13/h4-6,8,11,14,18H,7,9-10H2,1-3H3,(H2,16,17,19)
InChIKeyQHKYYRYOKLSPGJ-UHFFFAOYSA-N
XLogP2.20
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3-methylphenyl)methyl]-3-(2-methylpropyl)urea
CID 47159778
4-methyl-1-[(3-methylphenyl)methylamino]pentan-2-ol
CID 103631788
1-(2-hydroxy-4-methylpentyl)-3-(3-methylphenyl)urea
CID 110909846
1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-[(3-methylphenyl)methyl]urea
CID 110893364
1-(4-hydroxy-2,2-dimethylpentyl)-3-[(3-methylphenyl)methyl]urea
CID 111479334
1-benzyl-3-[2-hydroxy-3-(3-methylphenoxy)propyl]urea
CID 110904579
1-(2-hydroxy-2,3-dimethylbutyl)-3-[(3-methylphenyl)methyl]urea
CID 111120935
4-methyl-N-[(3-methylphenyl)methyl]pentanamide
CID 134063149
ethane;2-methyl-N-[(3-methylphenyl)methyl]propanamide
CID 169133923
1-(4-hydroxy-2-phenylbutyl)-3-[(3-methylphenyl)methyl]urea
CID 111450411
1-[(3-methylphenyl)methyl]-3-(3-oxobutyl)urea
CID 108895266
1-[(3-methylphenyl)methyl]-3-[(3-methylthiophen-2-yl)methyl]urea
CID 33420120

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-4-methylpentyl)-3-[(3-methylphenyl)methyl]urea?
The IUPAC name of 1-(2-hydroxy-4-methylpentyl)-3-[(3-methylphenyl)methyl]urea (CID 110910094) is 1-(2-hydroxy-4-methylpentyl)-3-[(3-methylphenyl)methyl]urea.
What is the SMILES notation for 1-(2-hydroxy-4-methylpentyl)-3-[(3-methylphenyl)methyl]urea?
The canonical SMILES for 1-(2-hydroxy-4-methylpentyl)-3-[(3-methylphenyl)methyl]urea is Cc1cccc(CNC(=O)NCC(O)CC(C)C)c1.
What is the InChIKey of 1-(2-hydroxy-4-methylpentyl)-3-[(3-methylphenyl)methyl]urea?
The InChIKey is QHKYYRYOKLSPGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-11(2)7-14(18)10-17-15(19)16-9-13-6-4-5-12(3)8-13/h4-6,8,11,14,18H,7,9-10H2,1-3H3,(H2,16,17,19).
What are the key properties of 1-(2-hydroxy-4-methylpentyl)-3-[(3-methylphenyl)methyl]urea?
1-(2-hydroxy-4-methylpentyl)-3-[(3-methylphenyl)methyl]urea has a molecular weight of 264.37 g/mol, XLogP of 2.20, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-4-methylpentyl)-3-[(3-methylphenyl)methyl]urea is sourced from PubChem (CID 110910094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).