1-(3-hydroxy-3-phenylpropyl)-3-[2-(4-methylphenyl)ethyl]urea

C19H24N2O2 — CID 111506398

IUPAC1-(3-hydroxy-3-phenylpropyl)-3-[2-(4-methylphenyl)ethyl]urea
SMILESCc1ccc(CCNC(=O)NCCC(O)c2ccccc2)cc1
InChIInChI=1S/C19H24N2O2/c1-15-7-9-16(10-8-15)11-13-20-19(23)21-14-12-18(22)17-5-3-2-4-6-17/h2-10,18,22H,11-14H2,1H3,(H2,20,21,23)
InChIKeyNUYMAPRADIXGTA-UHFFFAOYSA-N
MW312.41 g/mol
LogP2.96
Rot. Bonds7

About 1-(3-hydroxy-3-phenylpropyl)-3-[2-(4-methylphenyl)ethyl]urea

1-(3-hydroxy-3-phenylpropyl)-3-[2-(4-methylphenyl)ethyl]urea (PubChem CID 111506398) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is 1-(3-hydroxy-3-phenylpropyl)-3-[2-(4-methylphenyl)ethyl]urea.

Molecular Properties

Compound Name1-(3-hydroxy-3-phenylpropyl)-3-[2-(4-methylphenyl)ethyl]urea
PubChem CID111506398
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC Name1-(3-hydroxy-3-phenylpropyl)-3-[2-(4-methylphenyl)ethyl]urea
SMILESCc1ccc(CCNC(=O)NCCC(O)c2ccccc2)cc1
InChIInChI=1S/C19H24N2O2/c1-15-7-9-16(10-8-15)11-13-20-19(23)21-14-12-18(22)17-5-3-2-4-6-17/h2-10,18,22H,11-14H2,1H3,(H2,20,21,23)
InChIKeyNUYMAPRADIXGTA-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-benzhydryl-3-[2-(4-methylphenyl)ethyl]urea
CID 108867607
N-(3-hydroxy-3-phenylpropyl)-2-(4-methylphenoxy)acetamide
CID 71689998
1-[(4-fluorophenyl)methyl]-3-[(3R)-3-hydroxy-3-phenylpropyl]urea
CID 97038671
1-(3-hydroxy-3-phenylpropyl)-3-[2-(2-methoxyphenyl)ethyl]urea
CID 111478718
1-(2-ethylbutyl)-3-(3-hydroxy-3-phenylpropyl)urea
CID 111480824
N-(3-hydroxy-3-phenylpropyl)acetamide
CID 67579721
1-(3-hydroxy-3-phenylpropyl)-3-pent-3-enylurea
CID 111481680
1-(3-hydroxy-3-phenylpropyl)-3-(3-methylsulfanylpropyl)urea
CID 111481712
1-[2-(furan-2-yl)-2-hydroxyethyl]-3-[2-(4-methylphenyl)ethyl]urea
CID 111422873
1-methyl-3-[2-(4-methylphenyl)ethyl]urea
CID 18334314
methyl N-[(3R)-3-hydroxy-3-phenylpropyl]carbamate
CID 58297917
1-(3-hydroxy-3-naphthalen-1-ylpropyl)-3-(2-phenylethyl)urea
CID 90524671

Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxy-3-phenylpropyl)-3-[2-(4-methylphenyl)ethyl]urea?
The IUPAC name of 1-(3-hydroxy-3-phenylpropyl)-3-[2-(4-methylphenyl)ethyl]urea (CID 111506398) is 1-(3-hydroxy-3-phenylpropyl)-3-[2-(4-methylphenyl)ethyl]urea.
What is the SMILES notation for 1-(3-hydroxy-3-phenylpropyl)-3-[2-(4-methylphenyl)ethyl]urea?
The canonical SMILES for 1-(3-hydroxy-3-phenylpropyl)-3-[2-(4-methylphenyl)ethyl]urea is Cc1ccc(CCNC(=O)NCCC(O)c2ccccc2)cc1.
What is the InChIKey of 1-(3-hydroxy-3-phenylpropyl)-3-[2-(4-methylphenyl)ethyl]urea?
The InChIKey is NUYMAPRADIXGTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2/c1-15-7-9-16(10-8-15)11-13-20-19(23)21-14-12-18(22)17-5-3-2-4-6-17/h2-10,18,22H,11-14H2,1H3,(H2,20,21,23).
What are the key properties of 1-(3-hydroxy-3-phenylpropyl)-3-[2-(4-methylphenyl)ethyl]urea?
1-(3-hydroxy-3-phenylpropyl)-3-[2-(4-methylphenyl)ethyl]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-(3-hydroxy-3-phenylpropyl)-3-[2-(4-methylphenyl)ethyl]urea is sourced from PubChem (CID 111506398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).