1-benzyl-1-(2-hydroxyethyl)-3-(4-propan-2-ylphenyl)urea

C19H24N2O2 — CID 110896720

IUPAC1-benzyl-1-(2-hydroxyethyl)-3-(4-propan-2-ylphenyl)urea
SMILESCC(C)c1ccc(NC(=O)N(CCO)Cc2ccccc2)cc1
InChIInChI=1S/C19H24N2O2/c1-15(2)17-8-10-18(11-9-17)20-19(23)21(12-13-22)14-16-6-4-3-5-7-16/h3-11,15,22H,12-14H2,1-2H3,(H,20,23)
InChIKeyCTUGBGXXSVJRMX-UHFFFAOYSA-N
MW312.41 g/mol
LogP3.84
Rot. Bonds6

About 1-benzyl-1-(2-hydroxyethyl)-3-(4-propan-2-ylphenyl)urea

1-benzyl-1-(2-hydroxyethyl)-3-(4-propan-2-ylphenyl)urea (PubChem CID 110896720) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is 1-benzyl-1-(2-hydroxyethyl)-3-(4-propan-2-ylphenyl)urea.

Molecular Properties

Compound Name1-benzyl-1-(2-hydroxyethyl)-3-(4-propan-2-ylphenyl)urea
PubChem CID110896720
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC Name1-benzyl-1-(2-hydroxyethyl)-3-(4-propan-2-ylphenyl)urea
SMILESCC(C)c1ccc(NC(=O)N(CCO)Cc2ccccc2)cc1
InChIInChI=1S/C19H24N2O2/c1-15(2)17-8-10-18(11-9-17)20-19(23)21(12-13-22)14-16-6-4-3-5-7-16/h3-11,15,22H,12-14H2,1-2H3,(H,20,23)
InChIKeyCTUGBGXXSVJRMX-UHFFFAOYSA-N
XLogP3.84
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 3-[benzyl-[(4-propan-2-ylphenyl)carbamoyl]amino]propanoate
CID 42698000
1-benzyl-1-(4-methoxybutyl)-3-(4-propan-2-ylphenyl)urea
CID 60582881
1-benzyl-3-phenyl-1-propylurea
CID 78786424
3-[4-(1-aminoethyl)phenyl]-1,1-bis(2-hydroxyethyl)urea
CID 61341512
1-benzyl-1-(2-hydroxyethyl)-3-(1,2-oxazol-5-yl)urea
CID 108814077
1-benzyl-1-(2-hydroxyethyl)-3-[4-(1H-pyrazol-4-yl)phenyl]urea
CID 68565003
1-benzyl-1-[(9-ethylcarbazol-3-yl)methyl]-3-(4-propan-2-ylphenyl)urea
CID 3905889
3-[4-[1-[benzyl(methyl)amino]ethyl]phenyl]-1,1-dimethylurea
CID 13235912
1-butyl-1-[(10-chloroanthracen-9-yl)methyl]-3-(4-propan-2-ylphenyl)urea
CID 42657083
N,N-dibenzyl-4-propan-2-ylbenzamide
CID 5101447
1-benzyl-1-(2-hydroxyethyl)-3-pentan-3-ylurea
CID 108888312
1-(2-morpholin-4-ylethyl)-1-[(4-phenylmethoxyphenyl)methyl]-3-(4-propan-2-ylphenyl)urea
CID 42698254

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-1-(2-hydroxyethyl)-3-(4-propan-2-ylphenyl)urea?
The IUPAC name of 1-benzyl-1-(2-hydroxyethyl)-3-(4-propan-2-ylphenyl)urea (CID 110896720) is 1-benzyl-1-(2-hydroxyethyl)-3-(4-propan-2-ylphenyl)urea.
What is the SMILES notation for 1-benzyl-1-(2-hydroxyethyl)-3-(4-propan-2-ylphenyl)urea?
The canonical SMILES for 1-benzyl-1-(2-hydroxyethyl)-3-(4-propan-2-ylphenyl)urea is CC(C)c1ccc(NC(=O)N(CCO)Cc2ccccc2)cc1.
What is the InChIKey of 1-benzyl-1-(2-hydroxyethyl)-3-(4-propan-2-ylphenyl)urea?
The InChIKey is CTUGBGXXSVJRMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2/c1-15(2)17-8-10-18(11-9-17)20-19(23)21(12-13-22)14-16-6-4-3-5-7-16/h3-11,15,22H,12-14H2,1-2H3,(H,20,23).
What are the key properties of 1-benzyl-1-(2-hydroxyethyl)-3-(4-propan-2-ylphenyl)urea?
1-benzyl-1-(2-hydroxyethyl)-3-(4-propan-2-ylphenyl)urea has a molecular weight of 312.41 g/mol, XLogP of 3.84, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-1-(2-hydroxyethyl)-3-(4-propan-2-ylphenyl)urea is sourced from PubChem (CID 110896720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).