1-ethyl-1-[2-hydroxy-2-(4-methylphenyl)ethyl]-3-(1-methyl-2-oxo-3-pyridinyl)urea

C18H23N3O3 — CID 111750945

IUPAC1-ethyl-1-[2-hydroxy-2-(4-methylphenyl)ethyl]-3-(1-methyl-2-oxo-3-pyridinyl)urea
SMILESCCN(CC(O)c1ccc(C)cc1)C(=O)Nc1cccn(C)c1=O
InChIInChI=1S/C18H23N3O3/c1-4-21(12-16(22)14-9-7-13(2)8-10-14)18(24)19-15-6-5-11-20(3)17(15)23/h5-11,16,22H,4,12H2,1-3H3,(H,19,24)
InChIKeyJTYSQILTXNOKSM-UHFFFAOYSA-N
MW329.40 g/mol
LogP2.28
Rot. Bonds5

About 1-ethyl-1-[2-hydroxy-2-(4-methylphenyl)ethyl]-3-(1-methyl-2-oxo-3-pyridinyl)urea

1-ethyl-1-[2-hydroxy-2-(4-methylphenyl)ethyl]-3-(1-methyl-2-oxo-3-pyridinyl)urea (PubChem CID 111750945) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is 1-ethyl-1-[2-hydroxy-2-(4-methylphenyl)ethyl]-3-(1-methyl-2-oxo-3-pyridinyl)urea.

Molecular Properties

Compound Name1-ethyl-1-[2-hydroxy-2-(4-methylphenyl)ethyl]-3-(1-methyl-2-oxo-3-pyridinyl)urea
PubChem CID111750945
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC Name1-ethyl-1-[2-hydroxy-2-(4-methylphenyl)ethyl]-3-(1-methyl-2-oxo-3-pyridinyl)urea
SMILESCCN(CC(O)c1ccc(C)cc1)C(=O)Nc1cccn(C)c1=O
InChIInChI=1S/C18H23N3O3/c1-4-21(12-16(22)14-9-7-13(2)8-10-14)18(24)19-15-6-5-11-20(3)17(15)23/h5-11,16,22H,4,12H2,1-3H3,(H,19,24)
InChIKeyJTYSQILTXNOKSM-UHFFFAOYSA-N
XLogP2.28
TPSA74.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-N-ethyl-N-[2-hydroxy-2-(4-methylphenyl)ethyl]propanamide
CID 119334130
3-[2-(dimethylamino)-2-methylpropyl]-1-ethyl-1-[2-hydroxy-2-(4-methylphenyl)ethyl]urea
CID 111722248
3-(dicyclopropylmethyl)-1-ethyl-1-[2-hydroxy-2-(4-methylphenyl)ethyl]urea
CID 111722268
1-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-(1-methyl-2-oxo-3-pyridinyl)urea
CID 111475007
1-ethyl-1-[2-hydroxy-2-(4-methylphenyl)ethyl]-3-[(5-methyl-1,3-thiazol-2-yl)methyl]urea
CID 111722471
N-ethyl-N-[(2S)-2-hydroxy-2-(4-methylphenyl)ethyl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide
CID 97052134
4-[ethyl-[2-hydroxy-2-(4-methylphenyl)ethyl]carbamoyl]benzoic acid
CID 119186471
2-amino-N-(1-methyl-2-oxo-3-pyridinyl)acetamide
CID 130637050
3-[(2,5-difluorophenyl)methyl]-1-ethyl-1-[2-hydroxy-2-(4-methylphenyl)ethyl]urea
CID 111722396
2-amino-3-methyl-N-(1-methyl-2-oxo-3-pyridinyl)pentanamide
CID 119782695
(2S)-2-amino-N-ethyl-N-[2-hydroxy-2-(4-methylphenyl)ethyl]-3-phenylpropanamide
CID 119334132
(2S)-2-amino-N-ethyl-N-[2-hydroxy-2-(4-methylphenyl)ethyl]-4-methylsulfanylbutanamide
CID 119334134

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-1-[2-hydroxy-2-(4-methylphenyl)ethyl]-3-(1-methyl-2-oxo-3-pyridinyl)urea?
The IUPAC name of 1-ethyl-1-[2-hydroxy-2-(4-methylphenyl)ethyl]-3-(1-methyl-2-oxo-3-pyridinyl)urea (CID 111750945) is 1-ethyl-1-[2-hydroxy-2-(4-methylphenyl)ethyl]-3-(1-methyl-2-oxo-3-pyridinyl)urea.
What is the SMILES notation for 1-ethyl-1-[2-hydroxy-2-(4-methylphenyl)ethyl]-3-(1-methyl-2-oxo-3-pyridinyl)urea?
The canonical SMILES for 1-ethyl-1-[2-hydroxy-2-(4-methylphenyl)ethyl]-3-(1-methyl-2-oxo-3-pyridinyl)urea is CCN(CC(O)c1ccc(C)cc1)C(=O)Nc1cccn(C)c1=O.
What is the InChIKey of 1-ethyl-1-[2-hydroxy-2-(4-methylphenyl)ethyl]-3-(1-methyl-2-oxo-3-pyridinyl)urea?
The InChIKey is JTYSQILTXNOKSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-4-21(12-16(22)14-9-7-13(2)8-10-14)18(24)19-15-6-5-11-20(3)17(15)23/h5-11,16,22H,4,12H2,1-3H3,(H,19,24).
What are the key properties of 1-ethyl-1-[2-hydroxy-2-(4-methylphenyl)ethyl]-3-(1-methyl-2-oxo-3-pyridinyl)urea?
1-ethyl-1-[2-hydroxy-2-(4-methylphenyl)ethyl]-3-(1-methyl-2-oxo-3-pyridinyl)urea has a molecular weight of 329.40 g/mol, XLogP of 2.28, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-1-[2-hydroxy-2-(4-methylphenyl)ethyl]-3-(1-methyl-2-oxo-3-pyridinyl)urea is sourced from PubChem (CID 111750945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).