2-[[bis(2-methylpropyl)amino]methyl]-4-(4-chlorophenyl)-4-hydroxybutanamide

C19H31ClN2O2 — CID 3079182

IUPAC2-[[bis(2-methylpropyl)amino]methyl]-4-(4-chlorophenyl)-4-hydroxybutanamide
SMILESCC(C)CN(CC(C)C)CC(CC(O)c1ccc(Cl)cc1)C(N)=O
InChIInChI=1S/C19H31ClN2O2/c1-13(2)10-22(11-14(3)4)12-16(19(21)24)9-18(23)15-5-7-17(20)8-6-15/h5-8,13-14,16,18,23H,9-12H2,1-4H3,(H2,21,24)
InChIKeyHYBBRDJFFAKLBV-UHFFFAOYSA-N
MW354.92 g/mol
LogP3.48
Rot. Bonds10

About 2-[[bis(2-methylpropyl)amino]methyl]-4-(4-chlorophenyl)-4-hydroxybutanamide

2-[[bis(2-methylpropyl)amino]methyl]-4-(4-chlorophenyl)-4-hydroxybutanamide (PubChem CID 3079182) has the molecular formula C19H31ClN2O2 and a molecular weight of 354.92 g/mol. Its IUPAC name is 2-[[bis(2-methylpropyl)amino]methyl]-4-(4-chlorophenyl)-4-hydroxybutanamide.

Molecular Properties

Compound Name2-[[bis(2-methylpropyl)amino]methyl]-4-(4-chlorophenyl)-4-hydroxybutanamide
PubChem CID3079182
Molecular FormulaC19H31ClN2O2
Molecular Weight354.92 g/mol
Exact Mass354.21
IUPAC Name2-[[bis(2-methylpropyl)amino]methyl]-4-(4-chlorophenyl)-4-hydroxybutanamide
SMILESCC(C)CN(CC(C)C)CC(CC(O)c1ccc(Cl)cc1)C(N)=O
InChIInChI=1S/C19H31ClN2O2/c1-13(2)10-22(11-14(3)4)12-16(19(21)24)9-18(23)15-5-7-17(20)8-6-15/h5-8,13-14,16,18,23H,9-12H2,1-4H3,(H2,21,24)
InChIKeyHYBBRDJFFAKLBV-UHFFFAOYSA-N
XLogP3.48
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.92
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[bis(2-methylpropyl)amino]methyl]-4-(4-chlorophenyl)-4-hydroxybutanamide?
The IUPAC name of 2-[[bis(2-methylpropyl)amino]methyl]-4-(4-chlorophenyl)-4-hydroxybutanamide (CID 3079182) is 2-[[bis(2-methylpropyl)amino]methyl]-4-(4-chlorophenyl)-4-hydroxybutanamide.
What is the SMILES notation for 2-[[bis(2-methylpropyl)amino]methyl]-4-(4-chlorophenyl)-4-hydroxybutanamide?
The canonical SMILES for 2-[[bis(2-methylpropyl)amino]methyl]-4-(4-chlorophenyl)-4-hydroxybutanamide is CC(C)CN(CC(C)C)CC(CC(O)c1ccc(Cl)cc1)C(N)=O.
What is the InChIKey of 2-[[bis(2-methylpropyl)amino]methyl]-4-(4-chlorophenyl)-4-hydroxybutanamide?
The InChIKey is HYBBRDJFFAKLBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31ClN2O2/c1-13(2)10-22(11-14(3)4)12-16(19(21)24)9-18(23)15-5-7-17(20)8-6-15/h5-8,13-14,16,18,23H,9-12H2,1-4H3,(H2,21,24).
What are the key properties of 2-[[bis(2-methylpropyl)amino]methyl]-4-(4-chlorophenyl)-4-hydroxybutanamide?
2-[[bis(2-methylpropyl)amino]methyl]-4-(4-chlorophenyl)-4-hydroxybutanamide has a molecular weight of 354.92 g/mol, XLogP of 3.48, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[bis(2-methylpropyl)amino]methyl]-4-(4-chlorophenyl)-4-hydroxybutanamide is sourced from PubChem (CID 3079182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).