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

C19H24N2O2 — CID 111450237

IUPAC1-(4-hydroxy-1-phenylbutyl)-3-[(4-methylphenyl)methyl]urea
SMILESCc1ccc(CNC(=O)NC(CCCO)c2ccccc2)cc1
InChIInChI=1S/C19H24N2O2/c1-15-9-11-16(12-10-15)14-20-19(23)21-18(8-5-13-22)17-6-3-2-4-7-17/h2-4,6-7,9-12,18,22H,5,8,13-14H2,1H3,(H2,20,21,23)
InChIKeyRXRQAAPWBCQGJW-UHFFFAOYSA-N
MW312.41 g/mol
LogP3.31
Rot. Bonds7

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

1-(4-hydroxy-1-phenylbutyl)-3-[(4-methylphenyl)methyl]urea (PubChem CID 111450237) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is 1-(4-hydroxy-1-phenylbutyl)-3-[(4-methylphenyl)methyl]urea.

Molecular Properties

Compound Name1-(4-hydroxy-1-phenylbutyl)-3-[(4-methylphenyl)methyl]urea
PubChem CID111450237
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC Name1-(4-hydroxy-1-phenylbutyl)-3-[(4-methylphenyl)methyl]urea
SMILESCc1ccc(CNC(=O)NC(CCCO)c2ccccc2)cc1
InChIInChI=1S/C19H24N2O2/c1-15-9-11-16(12-10-15)14-20-19(23)21-18(8-5-13-22)17-6-3-2-4-7-17/h2-4,6-7,9-12,18,22H,5,8,13-14H2,1H3,(H2,20,21,23)
InChIKeyRXRQAAPWBCQGJW-UHFFFAOYSA-N
XLogP3.31
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 ≤ 53.31
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-(4-hydroxy-1-phenylbutyl)-3-[(5-methyl-1,3-thiazol-2-yl)methyl]urea
CID 111506869
1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-(4-hydroxy-1-phenylbutyl)urea
CID 111455415
1-(4-hydroxy-1-phenylbutyl)-3-[(2-methylpyrazol-3-yl)methyl]urea
CID 111454513
1-(4-hydroxy-1-phenylbutyl)-3-prop-2-enylurea
CID 111453791
1-(4-hydroxy-1-phenylbutyl)-3-(3-methylphenyl)urea
CID 111450235
(2S)-2-[(4-methylphenyl)methylcarbamoylamino]propanoic acid
CID 5423731
1-[(1R)-3-hydroxy-1-phenylpropyl]-3-(4-methylphenyl)urea
CID 111450296
1-(4-hydroxy-1-phenylbutyl)-3-(5-methylthiophen-2-yl)urea
CID 111486785
1-(4-hydroxy-1-phenylbutyl)-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)urea
CID 111454047
1-benzyl-3-[(1R)-2-(benzylamino)-1-phenylethyl]urea
CID 166761787
1-(4-hydroxy-1-phenylbutyl)-3-(2-methylcyclopropyl)urea
CID 111456098

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxy-1-phenylbutyl)-3-[(4-methylphenyl)methyl]urea?
The IUPAC name of 1-(4-hydroxy-1-phenylbutyl)-3-[(4-methylphenyl)methyl]urea (CID 111450237) is 1-(4-hydroxy-1-phenylbutyl)-3-[(4-methylphenyl)methyl]urea.
What is the SMILES notation for 1-(4-hydroxy-1-phenylbutyl)-3-[(4-methylphenyl)methyl]urea?
The canonical SMILES for 1-(4-hydroxy-1-phenylbutyl)-3-[(4-methylphenyl)methyl]urea is Cc1ccc(CNC(=O)NC(CCCO)c2ccccc2)cc1.
What is the InChIKey of 1-(4-hydroxy-1-phenylbutyl)-3-[(4-methylphenyl)methyl]urea?
The InChIKey is RXRQAAPWBCQGJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2/c1-15-9-11-16(12-10-15)14-20-19(23)21-18(8-5-13-22)17-6-3-2-4-7-17/h2-4,6-7,9-12,18,22H,5,8,13-14H2,1H3,(H2,20,21,23).
What are the key properties of 1-(4-hydroxy-1-phenylbutyl)-3-[(4-methylphenyl)methyl]urea?
1-(4-hydroxy-1-phenylbutyl)-3-[(4-methylphenyl)methyl]urea has a molecular weight of 312.41 g/mol, XLogP of 3.31, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxy-1-phenylbutyl)-3-[(4-methylphenyl)methyl]urea is sourced from PubChem (CID 111450237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).