1-[2,2-dimethyl-1-(2-methylphenyl)propyl]-3-(2-hydroxy-3-methoxypropyl)urea

C17H28N2O3 — CID 71923748

IUPAC1-[2,2-dimethyl-1-(2-methylphenyl)propyl]-3-(2-hydroxy-3-methoxypropyl)urea
SMILESCOCC(O)CNC(=O)NC(c1ccccc1C)C(C)(C)C
InChIInChI=1S/C17H28N2O3/c1-12-8-6-7-9-14(12)15(17(2,3)4)19-16(21)18-10-13(20)11-22-5/h6-9,13,15,20H,10-11H2,1-5H3,(H2,18,19,21)
InChIKeyYANVJUFDNUHPLC-UHFFFAOYSA-N
MW308.42 g/mol
LogP2.39
Rot. Bonds6

About 1-[2,2-dimethyl-1-(2-methylphenyl)propyl]-3-(2-hydroxy-3-methoxypropyl)urea

1-[2,2-dimethyl-1-(2-methylphenyl)propyl]-3-(2-hydroxy-3-methoxypropyl)urea (PubChem CID 71923748) has the molecular formula C17H28N2O3 and a molecular weight of 308.42 g/mol. Its IUPAC name is 1-[2,2-dimethyl-1-(2-methylphenyl)propyl]-3-(2-hydroxy-3-methoxypropyl)urea.

Molecular Properties

Compound Name1-[2,2-dimethyl-1-(2-methylphenyl)propyl]-3-(2-hydroxy-3-methoxypropyl)urea
PubChem CID71923748
Molecular FormulaC17H28N2O3
Molecular Weight308.42 g/mol
Exact Mass308.21
IUPAC Name1-[2,2-dimethyl-1-(2-methylphenyl)propyl]-3-(2-hydroxy-3-methoxypropyl)urea
SMILESCOCC(O)CNC(=O)NC(c1ccccc1C)C(C)(C)C
InChIInChI=1S/C17H28N2O3/c1-12-8-6-7-9-14(12)15(17(2,3)4)19-16(21)18-10-13(20)11-22-5/h6-9,13,15,20H,10-11H2,1-5H3,(H2,18,19,21)
InChIKeyYANVJUFDNUHPLC-UHFFFAOYSA-N
XLogP2.39
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.42
LogP ≤ 52.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2,2-dimethyl-1-(2-methylphenyl)propyl]-3-(2-hydroxy-3-methoxypropyl)urea?
The IUPAC name of 1-[2,2-dimethyl-1-(2-methylphenyl)propyl]-3-(2-hydroxy-3-methoxypropyl)urea (CID 71923748) is 1-[2,2-dimethyl-1-(2-methylphenyl)propyl]-3-(2-hydroxy-3-methoxypropyl)urea.
What is the SMILES notation for 1-[2,2-dimethyl-1-(2-methylphenyl)propyl]-3-(2-hydroxy-3-methoxypropyl)urea?
The canonical SMILES for 1-[2,2-dimethyl-1-(2-methylphenyl)propyl]-3-(2-hydroxy-3-methoxypropyl)urea is COCC(O)CNC(=O)NC(c1ccccc1C)C(C)(C)C.
What is the InChIKey of 1-[2,2-dimethyl-1-(2-methylphenyl)propyl]-3-(2-hydroxy-3-methoxypropyl)urea?
The InChIKey is YANVJUFDNUHPLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O3/c1-12-8-6-7-9-14(12)15(17(2,3)4)19-16(21)18-10-13(20)11-22-5/h6-9,13,15,20H,10-11H2,1-5H3,(H2,18,19,21).
What are the key properties of 1-[2,2-dimethyl-1-(2-methylphenyl)propyl]-3-(2-hydroxy-3-methoxypropyl)urea?
1-[2,2-dimethyl-1-(2-methylphenyl)propyl]-3-(2-hydroxy-3-methoxypropyl)urea has a molecular weight of 308.42 g/mol, XLogP of 2.39, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,2-dimethyl-1-(2-methylphenyl)propyl]-3-(2-hydroxy-3-methoxypropyl)urea is sourced from PubChem (CID 71923748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).