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

C14H21ClN2O3 — CID 71867645

IUPAC1-[2-(3-chlorophenyl)-2-methoxyethyl]-3-(2-hydroxy-2-methylpropyl)urea
SMILESCOC(CNC(=O)NCC(C)(C)O)c1cccc(Cl)c1
InChIInChI=1S/C14H21ClN2O3/c1-14(2,19)9-17-13(18)16-8-12(20-3)10-5-4-6-11(15)7-10/h4-7,12,19H,8-9H2,1-3H3,(H2,16,17,18)
InChIKeyODEMAZVTTLYQNH-UHFFFAOYSA-N
MW300.79 g/mol
LogP2.10
Rot. Bonds6

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

1-[2-(3-chlorophenyl)-2-methoxyethyl]-3-(2-hydroxy-2-methylpropyl)urea (PubChem CID 71867645) has the molecular formula C14H21ClN2O3 and a molecular weight of 300.79 g/mol. Its IUPAC name is 1-[2-(3-chlorophenyl)-2-methoxyethyl]-3-(2-hydroxy-2-methylpropyl)urea.

Molecular Properties

Compound Name1-[2-(3-chlorophenyl)-2-methoxyethyl]-3-(2-hydroxy-2-methylpropyl)urea
PubChem CID71867645
Molecular FormulaC14H21ClN2O3
Molecular Weight300.79 g/mol
Exact Mass300.12
IUPAC Name1-[2-(3-chlorophenyl)-2-methoxyethyl]-3-(2-hydroxy-2-methylpropyl)urea
SMILESCOC(CNC(=O)NCC(C)(C)O)c1cccc(Cl)c1
InChIInChI=1S/C14H21ClN2O3/c1-14(2,19)9-17-13(18)16-8-12(20-3)10-5-4-6-11(15)7-10/h4-7,12,19H,8-9H2,1-3H3,(H2,16,17,18)
InChIKeyODEMAZVTTLYQNH-UHFFFAOYSA-N
XLogP2.10
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.79
LogP ≤ 52.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-chlorophenyl)-2-methoxyethyl]-3-(2-hydroxy-2-methylpropyl)urea?
The IUPAC name of 1-[2-(3-chlorophenyl)-2-methoxyethyl]-3-(2-hydroxy-2-methylpropyl)urea (CID 71867645) is 1-[2-(3-chlorophenyl)-2-methoxyethyl]-3-(2-hydroxy-2-methylpropyl)urea.
What is the SMILES notation for 1-[2-(3-chlorophenyl)-2-methoxyethyl]-3-(2-hydroxy-2-methylpropyl)urea?
The canonical SMILES for 1-[2-(3-chlorophenyl)-2-methoxyethyl]-3-(2-hydroxy-2-methylpropyl)urea is COC(CNC(=O)NCC(C)(C)O)c1cccc(Cl)c1.
What is the InChIKey of 1-[2-(3-chlorophenyl)-2-methoxyethyl]-3-(2-hydroxy-2-methylpropyl)urea?
The InChIKey is ODEMAZVTTLYQNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O3/c1-14(2,19)9-17-13(18)16-8-12(20-3)10-5-4-6-11(15)7-10/h4-7,12,19H,8-9H2,1-3H3,(H2,16,17,18).
What are the key properties of 1-[2-(3-chlorophenyl)-2-methoxyethyl]-3-(2-hydroxy-2-methylpropyl)urea?
1-[2-(3-chlorophenyl)-2-methoxyethyl]-3-(2-hydroxy-2-methylpropyl)urea has a molecular weight of 300.79 g/mol, XLogP of 2.10, 6 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-methoxyethyl]-3-(2-hydroxy-2-methylpropyl)urea is sourced from PubChem (CID 71867645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).