1-[2-(3-chlorophenyl)-2-methylpropyl]-3-(2-hydroxy-3-methoxypropyl)urea

C15H23ClN2O3 — CID 111426803

IUPAC1-[2-(3-chlorophenyl)-2-methylpropyl]-3-(2-hydroxy-3-methoxypropyl)urea
SMILESCOCC(O)CNC(=O)NCC(C)(C)c1cccc(Cl)c1
InChIInChI=1S/C15H23ClN2O3/c1-15(2,11-5-4-6-12(16)7-11)10-18-14(20)17-8-13(19)9-21-3/h4-7,13,19H,8-10H2,1-3H3,(H2,17,18,20)
InChIKeyZYXXAPYLIDOCFT-UHFFFAOYSA-N
MW314.81 g/mol
LogP1.92
Rot. Bonds7

About 1-[2-(3-chlorophenyl)-2-methylpropyl]-3-(2-hydroxy-3-methoxypropyl)urea

1-[2-(3-chlorophenyl)-2-methylpropyl]-3-(2-hydroxy-3-methoxypropyl)urea (PubChem CID 111426803) has the molecular formula C15H23ClN2O3 and a molecular weight of 314.81 g/mol. Its IUPAC name is 1-[2-(3-chlorophenyl)-2-methylpropyl]-3-(2-hydroxy-3-methoxypropyl)urea.

Molecular Properties

Compound Name1-[2-(3-chlorophenyl)-2-methylpropyl]-3-(2-hydroxy-3-methoxypropyl)urea
PubChem CID111426803
Molecular FormulaC15H23ClN2O3
Molecular Weight314.81 g/mol
Exact Mass314.14
IUPAC Name1-[2-(3-chlorophenyl)-2-methylpropyl]-3-(2-hydroxy-3-methoxypropyl)urea
SMILESCOCC(O)CNC(=O)NCC(C)(C)c1cccc(Cl)c1
InChIInChI=1S/C15H23ClN2O3/c1-15(2,11-5-4-6-12(16)7-11)10-18-14(20)17-8-13(19)9-21-3/h4-7,13,19H,8-10H2,1-3H3,(H2,17,18,20)
InChIKeyZYXXAPYLIDOCFT-UHFFFAOYSA-N
XLogP1.92
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.81
LogP ≤ 51.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3-chlorophenyl)methyl]-3-(2-hydroxy-3-methoxypropyl)urea
CID 111426617
3-[[2-(3-chlorophenyl)-2-methylpropyl]carbamoylamino]-N-(2-methoxyethyl)propanamide
CID 51128640
N-[2-(3-chlorophenyl)-2-methylpropyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119756947
1-[(2,4-dichlorophenyl)methyl]-3-(2-hydroxy-3-methoxypropyl)urea
CID 111426624
1-[2-(3-chlorophenyl)-2-methoxypropyl]-3-(2-methoxyethyl)urea
CID 90600185
N-[2-(3-chlorophenyl)-2-methylpropyl]-3-phenylpropanamide
CID 110441534
1-(2,2-diphenylethyl)-3-(2-hydroxy-3-methoxypropyl)urea
CID 111426647
2-[[2-(3-chlorophenyl)-2-methylpropyl]carbamoylamino]-N-(2-ethylphenyl)acetamide
CID 60604445
N-[2-(3-chlorophenyl)-2-methylpropyl]-3-methylbenzamide
CID 110441462
1-[2-(3-chlorophenyl)-2-methoxypropyl]-3-[(4-chlorophenyl)methyl]urea
CID 90600204
N-[2-(3-chlorophenyl)-2-methylpropyl]pyrrolidine-2-carboxamide
CID 110461441
N-[2-(3-chlorophenyl)-2-methylpropyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 60604540

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-chlorophenyl)-2-methylpropyl]-3-(2-hydroxy-3-methoxypropyl)urea?
The IUPAC name of 1-[2-(3-chlorophenyl)-2-methylpropyl]-3-(2-hydroxy-3-methoxypropyl)urea (CID 111426803) is 1-[2-(3-chlorophenyl)-2-methylpropyl]-3-(2-hydroxy-3-methoxypropyl)urea.
What is the SMILES notation for 1-[2-(3-chlorophenyl)-2-methylpropyl]-3-(2-hydroxy-3-methoxypropyl)urea?
The canonical SMILES for 1-[2-(3-chlorophenyl)-2-methylpropyl]-3-(2-hydroxy-3-methoxypropyl)urea is COCC(O)CNC(=O)NCC(C)(C)c1cccc(Cl)c1.
What is the InChIKey of 1-[2-(3-chlorophenyl)-2-methylpropyl]-3-(2-hydroxy-3-methoxypropyl)urea?
The InChIKey is ZYXXAPYLIDOCFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O3/c1-15(2,11-5-4-6-12(16)7-11)10-18-14(20)17-8-13(19)9-21-3/h4-7,13,19H,8-10H2,1-3H3,(H2,17,18,20).
What are the key properties of 1-[2-(3-chlorophenyl)-2-methylpropyl]-3-(2-hydroxy-3-methoxypropyl)urea?
1-[2-(3-chlorophenyl)-2-methylpropyl]-3-(2-hydroxy-3-methoxypropyl)urea has a molecular weight of 314.81 g/mol, XLogP of 1.92, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-chlorophenyl)-2-methylpropyl]-3-(2-hydroxy-3-methoxypropyl)urea is sourced from PubChem (CID 111426803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).