2-(dimethylamino)-N-[4-(2-hydroxyethyl)phenyl]-3-methylbutanamide

C15H24N2O2 — CID 86779347

IUPAC2-(dimethylamino)-N-[4-(2-hydroxyethyl)phenyl]-3-methylbutanamide
SMILESCC(C)C(C(=O)Nc1ccc(CCO)cc1)N(C)C
InChIInChI=1S/C15H24N2O2/c1-11(2)14(17(3)4)15(19)16-13-7-5-12(6-8-13)9-10-18/h5-8,11,14,18H,9-10H2,1-4H3,(H,16,19)
InChIKeyCAIXFEOFPHCAPH-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.75
Rot. Bonds6

About 2-(dimethylamino)-N-[4-(2-hydroxyethyl)phenyl]-3-methylbutanamide

2-(dimethylamino)-N-[4-(2-hydroxyethyl)phenyl]-3-methylbutanamide (PubChem CID 86779347) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 2-(dimethylamino)-N-[4-(2-hydroxyethyl)phenyl]-3-methylbutanamide.

Molecular Properties

Compound Name2-(dimethylamino)-N-[4-(2-hydroxyethyl)phenyl]-3-methylbutanamide
PubChem CID86779347
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name2-(dimethylamino)-N-[4-(2-hydroxyethyl)phenyl]-3-methylbutanamide
SMILESCC(C)C(C(=O)Nc1ccc(CCO)cc1)N(C)C
InChIInChI=1S/C15H24N2O2/c1-11(2)14(17(3)4)15(19)16-13-7-5-12(6-8-13)9-10-18/h5-8,11,14,18H,9-10H2,1-4H3,(H,16,19)
InChIKeyCAIXFEOFPHCAPH-UHFFFAOYSA-N
XLogP1.75
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-N-[4-(2-hydroxyethyl)phenyl]-3-methylbutanamide?
The IUPAC name of 2-(dimethylamino)-N-[4-(2-hydroxyethyl)phenyl]-3-methylbutanamide (CID 86779347) is 2-(dimethylamino)-N-[4-(2-hydroxyethyl)phenyl]-3-methylbutanamide.
What is the SMILES notation for 2-(dimethylamino)-N-[4-(2-hydroxyethyl)phenyl]-3-methylbutanamide?
The canonical SMILES for 2-(dimethylamino)-N-[4-(2-hydroxyethyl)phenyl]-3-methylbutanamide is CC(C)C(C(=O)Nc1ccc(CCO)cc1)N(C)C.
What is the InChIKey of 2-(dimethylamino)-N-[4-(2-hydroxyethyl)phenyl]-3-methylbutanamide?
The InChIKey is CAIXFEOFPHCAPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-11(2)14(17(3)4)15(19)16-13-7-5-12(6-8-13)9-10-18/h5-8,11,14,18H,9-10H2,1-4H3,(H,16,19).
What are the key properties of 2-(dimethylamino)-N-[4-(2-hydroxyethyl)phenyl]-3-methylbutanamide?
2-(dimethylamino)-N-[4-(2-hydroxyethyl)phenyl]-3-methylbutanamide has a molecular weight of 264.37 g/mol, XLogP of 1.75, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-N-[4-(2-hydroxyethyl)phenyl]-3-methylbutanamide is sourced from PubChem (CID 86779347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).