3-[4-(1-hydroxyethyl)phenyl]-1-methyl-1-propan-2-ylurea

C13H20N2O2 — CID 61347436

IUPAC3-[4-(1-hydroxyethyl)phenyl]-1-methyl-1-propan-2-ylurea
SMILESCC(O)c1ccc(NC(=O)N(C)C(C)C)cc1
InChIInChI=1S/C13H20N2O2/c1-9(2)15(4)13(17)14-12-7-5-11(6-8-12)10(3)16/h5-10,16H,1-4H3,(H,14,17)
InChIKeyNMTJRUPDDPOFRN-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.61
Rot. Bonds3

About 3-[4-(1-hydroxyethyl)phenyl]-1-methyl-1-propan-2-ylurea

3-[4-(1-hydroxyethyl)phenyl]-1-methyl-1-propan-2-ylurea (PubChem CID 61347436) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 3-[4-(1-hydroxyethyl)phenyl]-1-methyl-1-propan-2-ylurea.

Molecular Properties

Compound Name3-[4-(1-hydroxyethyl)phenyl]-1-methyl-1-propan-2-ylurea
PubChem CID61347436
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name3-[4-(1-hydroxyethyl)phenyl]-1-methyl-1-propan-2-ylurea
SMILESCC(O)c1ccc(NC(=O)N(C)C(C)C)cc1
InChIInChI=1S/C13H20N2O2/c1-9(2)15(4)13(17)14-12-7-5-11(6-8-12)10(3)16/h5-10,16H,1-4H3,(H,14,17)
InChIKeyNMTJRUPDDPOFRN-UHFFFAOYSA-N
XLogP2.61
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-aminophenyl)-1-methyl-1-propan-2-ylurea
CID 43469006
1-[2-(dimethylamino)ethyl]-3-[4-(1-hydroxyethyl)phenyl]-1-methylurea
CID 63699163
3-[4-(1-hydroxyethyl)phenyl]-1-methyl-1-(2-propan-2-yloxyethyl)urea
CID 81062388
1-[4-(1-hydroxyethyl)phenyl]-3-[2-[methyl(propan-2-yl)amino]ethyl]urea
CID 62641101
3-[4-(1-hydroxyethyl)phenyl]-1-methyl-1-(thiophen-3-ylmethyl)urea
CID 61341427
3-hydroxy-N-[4-(1-hydroxyethyl)phenyl]butanamide
CID 110178597
2-fluoro-5-[[methyl(propan-2-yl)carbamoyl]amino]benzoic acid
CID 61183194
1-cyclopropyl-3-[4-(1-hydroxyethyl)phenyl]-1-(2-methoxyethyl)urea
CID 61455441
1-methyl-3-(4-methylsulfonylphenyl)-1-[1-(4-sulfamoylphenyl)ethyl]urea
CID 55695530
1-[4-[4-(1-hydroxyethyl)anilino]phenyl]ethanol
CID 18521146
3-[4-[[butan-2-yl(methyl)carbamoyl]amino]phenyl]butanoic acid
CID 104503290
3-[4-(1-hydroxyethyl)phenyl]-1-methyl-1-[(4-methyl-1,3-thiazol-5-yl)methyl]urea
CID 63836669

Frequently Asked Questions

What is the IUPAC name of 3-[4-(1-hydroxyethyl)phenyl]-1-methyl-1-propan-2-ylurea?
The IUPAC name of 3-[4-(1-hydroxyethyl)phenyl]-1-methyl-1-propan-2-ylurea (CID 61347436) is 3-[4-(1-hydroxyethyl)phenyl]-1-methyl-1-propan-2-ylurea.
What is the SMILES notation for 3-[4-(1-hydroxyethyl)phenyl]-1-methyl-1-propan-2-ylurea?
The canonical SMILES for 3-[4-(1-hydroxyethyl)phenyl]-1-methyl-1-propan-2-ylurea is CC(O)c1ccc(NC(=O)N(C)C(C)C)cc1.
What is the InChIKey of 3-[4-(1-hydroxyethyl)phenyl]-1-methyl-1-propan-2-ylurea?
The InChIKey is NMTJRUPDDPOFRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-9(2)15(4)13(17)14-12-7-5-11(6-8-12)10(3)16/h5-10,16H,1-4H3,(H,14,17).
What are the key properties of 3-[4-(1-hydroxyethyl)phenyl]-1-methyl-1-propan-2-ylurea?
3-[4-(1-hydroxyethyl)phenyl]-1-methyl-1-propan-2-ylurea has a molecular weight of 236.31 g/mol, XLogP of 2.61, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(1-hydroxyethyl)phenyl]-1-methyl-1-propan-2-ylurea is sourced from PubChem (CID 61347436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).