2-[4-[4-(2-hydroxyethyl)phenyl]phenyl]propan-2-ylurea

C18H22N2O2 — CID 155759569

IUPAC2-[4-[4-(2-hydroxyethyl)phenyl]phenyl]propan-2-ylurea
SMILESCC(C)(NC(N)=O)c1ccc(-c2ccc(CCO)cc2)cc1
InChIInChI=1S/C18H22N2O2/c1-18(2,20-17(19)22)16-9-7-15(8-10-16)14-5-3-13(4-6-14)11-12-21/h3-10,21H,11-12H2,1-2H3,(H3,19,20,22)
InChIKeyNAYBNWFVIXQETA-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.79
Rot. Bonds5

About 2-[4-[4-(2-hydroxyethyl)phenyl]phenyl]propan-2-ylurea

2-[4-[4-(2-hydroxyethyl)phenyl]phenyl]propan-2-ylurea (PubChem CID 155759569) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is 2-[4-[4-(2-hydroxyethyl)phenyl]phenyl]propan-2-ylurea.

Molecular Properties

Compound Name2-[4-[4-(2-hydroxyethyl)phenyl]phenyl]propan-2-ylurea
PubChem CID155759569
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC Name2-[4-[4-(2-hydroxyethyl)phenyl]phenyl]propan-2-ylurea
SMILESCC(C)(NC(N)=O)c1ccc(-c2ccc(CCO)cc2)cc1
InChIInChI=1S/C18H22N2O2/c1-18(2,20-17(19)22)16-9-7-15(8-10-16)14-5-3-13(4-6-14)11-12-21/h3-10,21H,11-12H2,1-2H3,(H3,19,20,22)
InChIKeyNAYBNWFVIXQETA-UHFFFAOYSA-N
XLogP2.79
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

3-[4-(2-hydroxyethyl)phenyl]-3-methylbutanoic acid
CID 115112927
2-[4-(2,3,3-trimethylbutan-2-yl)phenyl]ethanol
CID 175167761
(2S)-2-amino-N-[2-(4-ethylphenyl)propan-2-yl]propanamide
CID 119337733
4-(4-tert-butylphenyl)butanamide
CID 20619639
2-(4-butylphenyl)-2-methylpropanamide
CID 70289793
CID 10662394
CID 10662394
4-(2-hydroxyethyl)benzoic acid
CID 506062
3-amino-N-[4-(2-hydroxyethyl)phenyl]-2,2-dimethylpropanamide;hydrochloride
CID 119705445
N-[4-(2-hydroxyethyl)phenyl]acetamide
CID 3295905
2-[4-(4-methylsulfanylphenyl)phenyl]ethanol
CID 2760093
tert-butyl N-[2-[4-(2-hydroxyethyl)phenyl]ethyl]carbamate
CID 91185994
N-[2-(4-methylphenyl)propan-2-yl]propanamide
CID 67588403

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(2-hydroxyethyl)phenyl]phenyl]propan-2-ylurea?
The IUPAC name of 2-[4-[4-(2-hydroxyethyl)phenyl]phenyl]propan-2-ylurea (CID 155759569) is 2-[4-[4-(2-hydroxyethyl)phenyl]phenyl]propan-2-ylurea.
What is the SMILES notation for 2-[4-[4-(2-hydroxyethyl)phenyl]phenyl]propan-2-ylurea?
The canonical SMILES for 2-[4-[4-(2-hydroxyethyl)phenyl]phenyl]propan-2-ylurea is CC(C)(NC(N)=O)c1ccc(-c2ccc(CCO)cc2)cc1.
What is the InChIKey of 2-[4-[4-(2-hydroxyethyl)phenyl]phenyl]propan-2-ylurea?
The InChIKey is NAYBNWFVIXQETA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-18(2,20-17(19)22)16-9-7-15(8-10-16)14-5-3-13(4-6-14)11-12-21/h3-10,21H,11-12H2,1-2H3,(H3,19,20,22).
What are the key properties of 2-[4-[4-(2-hydroxyethyl)phenyl]phenyl]propan-2-ylurea?
2-[4-[4-(2-hydroxyethyl)phenyl]phenyl]propan-2-ylurea has a molecular weight of 298.39 g/mol, XLogP of 2.79, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-(2-hydroxyethyl)phenyl]phenyl]propan-2-ylurea is sourced from PubChem (CID 155759569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).