3-[2-(3-chlorophenyl)-2-methylpropyl]-1-ethyl-1-(2-hydroxyethyl)urea

C15H23ClN2O2 — CID 110910334

IUPAC3-[2-(3-chlorophenyl)-2-methylpropyl]-1-ethyl-1-(2-hydroxyethyl)urea
SMILESCCN(CCO)C(=O)NCC(C)(C)c1cccc(Cl)c1
InChIInChI=1S/C15H23ClN2O2/c1-4-18(8-9-19)14(20)17-11-15(2,3)12-6-5-7-13(16)10-12/h5-7,10,19H,4,8-9,11H2,1-3H3,(H,17,20)
InChIKeyYMPYSRVGCKUTBI-UHFFFAOYSA-N
MW298.81 g/mol
LogP2.64
Rot. Bonds6

About 3-[2-(3-chlorophenyl)-2-methylpropyl]-1-ethyl-1-(2-hydroxyethyl)urea

3-[2-(3-chlorophenyl)-2-methylpropyl]-1-ethyl-1-(2-hydroxyethyl)urea (PubChem CID 110910334) has the molecular formula C15H23ClN2O2 and a molecular weight of 298.81 g/mol. Its IUPAC name is 3-[2-(3-chlorophenyl)-2-methylpropyl]-1-ethyl-1-(2-hydroxyethyl)urea.

Molecular Properties

Compound Name3-[2-(3-chlorophenyl)-2-methylpropyl]-1-ethyl-1-(2-hydroxyethyl)urea
PubChem CID110910334
Molecular FormulaC15H23ClN2O2
Molecular Weight298.81 g/mol
Exact Mass298.14
IUPAC Name3-[2-(3-chlorophenyl)-2-methylpropyl]-1-ethyl-1-(2-hydroxyethyl)urea
SMILESCCN(CCO)C(=O)NCC(C)(C)c1cccc(Cl)c1
InChIInChI=1S/C15H23ClN2O2/c1-4-18(8-9-19)14(20)17-11-15(2,3)12-6-5-7-13(16)10-12/h5-7,10,19H,4,8-9,11H2,1-3H3,(H,17,20)
InChIKeyYMPYSRVGCKUTBI-UHFFFAOYSA-N
XLogP2.64
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.81
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[2-(4-chlorophenyl)-2-methylpropyl]-1,1-diethylurea
CID 60547202
3-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-1-ethyl-1-(2-hydroxyethyl)urea
CID 110896124
3-(2-methyl-2-phenylpropyl)-1,1-dipropylurea
CID 113213255
N-[2-(3-chlorophenyl)-2-methylpropyl]-3-methylbenzamide
CID 110441462
N-[2-(3-chlorophenyl)-2-methylpropyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119756947
3-[(3-chlorophenyl)methyl]-1,1-bis(2-hydroxyethyl)urea
CID 108898653
N-[2-(3-chlorophenyl)-2-methylpropyl]-3-phenylpropanamide
CID 110441534
1,1-diethyl-3-[2-methyl-2-(4-methylphenyl)propyl]urea
CID 113214197
3-[(4-tert-butylphenyl)methyl]-1-ethyl-1-(2-hydroxyethyl)urea
CID 110910290
2-(3-chlorophenyl)-N-ethyl-N-(2-hydroxyethyl)acetamide
CID 62505484
2-[[[[2-(3-chlorophenyl)-2-methylpropyl]amino]-(ethylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111365320
1-butyl-3-[(3-chlorophenyl)methyl]-1-(2-hydroxyethyl)urea
CID 110894614

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-chlorophenyl)-2-methylpropyl]-1-ethyl-1-(2-hydroxyethyl)urea?
The IUPAC name of 3-[2-(3-chlorophenyl)-2-methylpropyl]-1-ethyl-1-(2-hydroxyethyl)urea (CID 110910334) is 3-[2-(3-chlorophenyl)-2-methylpropyl]-1-ethyl-1-(2-hydroxyethyl)urea.
What is the SMILES notation for 3-[2-(3-chlorophenyl)-2-methylpropyl]-1-ethyl-1-(2-hydroxyethyl)urea?
The canonical SMILES for 3-[2-(3-chlorophenyl)-2-methylpropyl]-1-ethyl-1-(2-hydroxyethyl)urea is CCN(CCO)C(=O)NCC(C)(C)c1cccc(Cl)c1.
What is the InChIKey of 3-[2-(3-chlorophenyl)-2-methylpropyl]-1-ethyl-1-(2-hydroxyethyl)urea?
The InChIKey is YMPYSRVGCKUTBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O2/c1-4-18(8-9-19)14(20)17-11-15(2,3)12-6-5-7-13(16)10-12/h5-7,10,19H,4,8-9,11H2,1-3H3,(H,17,20).
What are the key properties of 3-[2-(3-chlorophenyl)-2-methylpropyl]-1-ethyl-1-(2-hydroxyethyl)urea?
3-[2-(3-chlorophenyl)-2-methylpropyl]-1-ethyl-1-(2-hydroxyethyl)urea has a molecular weight of 298.81 g/mol, XLogP of 2.64, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-chlorophenyl)-2-methylpropyl]-1-ethyl-1-(2-hydroxyethyl)urea is sourced from PubChem (CID 110910334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).