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

C19H24N2O2 — CID 111450411

IUPAC1-(4-hydroxy-2-phenylbutyl)-3-[(3-methylphenyl)methyl]urea
SMILESCc1cccc(CNC(=O)NCC(CCO)c2ccccc2)c1
InChIInChI=1S/C19H24N2O2/c1-15-6-5-7-16(12-15)13-20-19(23)21-14-18(10-11-22)17-8-3-2-4-9-17/h2-9,12,18,22H,10-11,13-14H2,1H3,(H2,20,21,23)
InChIKeyFBOGPJSYCSAIOJ-UHFFFAOYSA-N
MW312.41 g/mol
LogP2.96
Rot. Bonds7

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

1-(4-hydroxy-2-phenylbutyl)-3-[(3-methylphenyl)methyl]urea (PubChem CID 111450411) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is 1-(4-hydroxy-2-phenylbutyl)-3-[(3-methylphenyl)methyl]urea.

Molecular Properties

Compound Name1-(4-hydroxy-2-phenylbutyl)-3-[(3-methylphenyl)methyl]urea
PubChem CID111450411
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC Name1-(4-hydroxy-2-phenylbutyl)-3-[(3-methylphenyl)methyl]urea
SMILESCc1cccc(CNC(=O)NCC(CCO)c2ccccc2)c1
InChIInChI=1S/C19H24N2O2/c1-15-6-5-7-16(12-15)13-20-19(23)21-14-18(10-11-22)17-8-3-2-4-9-17/h2-9,12,18,22H,10-11,13-14H2,1H3,(H2,20,21,23)
InChIKeyFBOGPJSYCSAIOJ-UHFFFAOYSA-N
XLogP2.96
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 52.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(1R)-3-hydroxy-1-phenylpropyl]-3-[(3-methylphenyl)methyl]urea
CID 111454309
1-(2,3-dihydro-1H-inden-5-ylmethyl)-3-(4-hydroxy-2-phenylbutyl)urea
CID 111450476
1-[(2,5-dimethylfuran-3-yl)methyl]-3-(4-hydroxy-2-phenylbutyl)urea
CID 111450680
1-[(3-methylphenyl)methyl]-3-(2-methylpropyl)urea
CID 47159778
1-(2,6-dimethylphenyl)-3-(4-hydroxy-2-phenylbutyl)urea
CID 111452788
N-[(3-methylphenyl)methyl]-2,2-diphenylacetamide
CID 38293786
1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-[(3-methylphenyl)methyl]urea
CID 110893364
1-(4-hydroxy-2-phenylbutyl)-3-(2-methoxy-5-methylphenyl)urea
CID 111452697
1-(2-hydroxy-4-methylpentyl)-3-[(3-methylphenyl)methyl]urea
CID 110910094
2-amino-N-(4-hydroxy-2-phenylbutyl)-2-(4-methylphenyl)acetamide;hydrochloride
CID 120668549
1-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-(4-hydroxy-2-phenylbutyl)urea
CID 111454908
1-[(2-chlorophenyl)methyl]-3-[(3-methylphenyl)methyl]urea
CID 108897773

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxy-2-phenylbutyl)-3-[(3-methylphenyl)methyl]urea?
The IUPAC name of 1-(4-hydroxy-2-phenylbutyl)-3-[(3-methylphenyl)methyl]urea (CID 111450411) is 1-(4-hydroxy-2-phenylbutyl)-3-[(3-methylphenyl)methyl]urea.
What is the SMILES notation for 1-(4-hydroxy-2-phenylbutyl)-3-[(3-methylphenyl)methyl]urea?
The canonical SMILES for 1-(4-hydroxy-2-phenylbutyl)-3-[(3-methylphenyl)methyl]urea is Cc1cccc(CNC(=O)NCC(CCO)c2ccccc2)c1.
What is the InChIKey of 1-(4-hydroxy-2-phenylbutyl)-3-[(3-methylphenyl)methyl]urea?
The InChIKey is FBOGPJSYCSAIOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2/c1-15-6-5-7-16(12-15)13-20-19(23)21-14-18(10-11-22)17-8-3-2-4-9-17/h2-9,12,18,22H,10-11,13-14H2,1H3,(H2,20,21,23).
What are the key properties of 1-(4-hydroxy-2-phenylbutyl)-3-[(3-methylphenyl)methyl]urea?
1-(4-hydroxy-2-phenylbutyl)-3-[(3-methylphenyl)methyl]urea has a molecular weight of 312.41 g/mol, XLogP of 2.96, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxy-2-phenylbutyl)-3-[(3-methylphenyl)methyl]urea is sourced from PubChem (CID 111450411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).