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

C19H24N2O2 — CID 111120539

IUPAC1-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-(2-propylphenyl)urea
SMILESCCCc1ccccc1NC(=O)NCC(O)c1ccccc1C
InChIInChI=1S/C19H24N2O2/c1-3-8-15-10-5-7-12-17(15)21-19(23)20-13-18(22)16-11-6-4-9-14(16)2/h4-7,9-12,18,22H,3,8,13H2,1-2H3,(H2,20,21,23)
InChIKeyISIHCJWAURQZRN-UHFFFAOYSA-N
MW312.41 g/mol
LogP3.80
Rot. Bonds6

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

1-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-(2-propylphenyl)urea (PubChem CID 111120539) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is 1-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-(2-propylphenyl)urea.

Molecular Properties

Compound Name1-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-(2-propylphenyl)urea
PubChem CID111120539
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC Name1-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-(2-propylphenyl)urea
SMILESCCCc1ccccc1NC(=O)NCC(O)c1ccccc1C
InChIInChI=1S/C19H24N2O2/c1-3-8-15-10-5-7-12-17(15)21-19(23)20-13-18(22)16-11-6-4-9-14(16)2/h4-7,9-12,18,22H,3,8,13H2,1-2H3,(H2,20,21,23)
InChIKeyISIHCJWAURQZRN-UHFFFAOYSA-N
XLogP3.80
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 53.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 111119324
3-methyl-2-[[(2-propylphenyl)carbamoylamino]methyl]butanoic acid
CID 65220763
1-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-(2-methylpropyl)urea
CID 111119518
1-[2-(2-fluorophenyl)ethyl]-3-[2-hydroxy-2-(2-methylphenyl)ethyl]urea
CID 111119522
4-methyl-5-[(2-propylphenyl)carbamoylamino]pentanoic acid
CID 82014748
1,1-diethyl-3-[(2R)-2-hydroxy-2-(2-methylphenyl)ethyl]urea
CID 97239385
1-(2-propylphenyl)-3-(2,2,2-trifluoroethyl)urea
CID 115583957
1-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-(3-methylpentan-2-yl)urea
CID 111119587
3-(2-chlorophenyl)-N-[2-hydroxy-2-(2-methylphenyl)ethyl]propanamide
CID 111119972
1-[(2S)-2-[4-(dimethylamino)phenyl]-2-hydroxyethyl]-3-(2-methylphenyl)urea
CID 97106061
ethane;N-(2-propylphenyl)acetamide
CID 142804217
1-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-3-(2-methylphenyl)urea
CID 71788722

Frequently Asked Questions

What is the IUPAC name of 1-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-(2-propylphenyl)urea?
The IUPAC name of 1-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-(2-propylphenyl)urea (CID 111120539) is 1-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-(2-propylphenyl)urea.
What is the SMILES notation for 1-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-(2-propylphenyl)urea?
The canonical SMILES for 1-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-(2-propylphenyl)urea is CCCc1ccccc1NC(=O)NCC(O)c1ccccc1C.
What is the InChIKey of 1-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-(2-propylphenyl)urea?
The InChIKey is ISIHCJWAURQZRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2/c1-3-8-15-10-5-7-12-17(15)21-19(23)20-13-18(22)16-11-6-4-9-14(16)2/h4-7,9-12,18,22H,3,8,13H2,1-2H3,(H2,20,21,23).
What are the key properties of 1-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-(2-propylphenyl)urea?
1-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-(2-propylphenyl)urea has a molecular weight of 312.41 g/mol, XLogP of 3.80, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-(2-propylphenyl)urea is sourced from PubChem (CID 111120539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).