(2R)-N-benzyl-2-hydroxy-5-methyl-3-(methylamino)hexanamide

C15H24N2O2 — CID 142265085

IUPAC(2R)-N-benzyl-2-hydroxy-5-methyl-3-(methylamino)hexanamide
SMILESCNC(CC(C)C)[C@@H](O)C(=O)NCc1ccccc1
InChIInChI=1S/C15H24N2O2/c1-11(2)9-13(16-3)14(18)15(19)17-10-12-7-5-4-6-8-12/h4-8,11,13-14,16,18H,9-10H2,1-3H3,(H,17,19)/t13?,14-/m1/s1
InChIKeyQNEPKDJGQIOXGF-ARLHGKGLSA-N
MW264.37 g/mol
LogP1.30
Rot. Bonds7

About (2R)-N-benzyl-2-hydroxy-5-methyl-3-(methylamino)hexanamide

(2R)-N-benzyl-2-hydroxy-5-methyl-3-(methylamino)hexanamide (PubChem CID 142265085) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is (2R)-N-benzyl-2-hydroxy-5-methyl-3-(methylamino)hexanamide.

Molecular Properties

Compound Name(2R)-N-benzyl-2-hydroxy-5-methyl-3-(methylamino)hexanamide
PubChem CID142265085
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name(2R)-N-benzyl-2-hydroxy-5-methyl-3-(methylamino)hexanamide
SMILESCNC(CC(C)C)[C@@H](O)C(=O)NCc1ccccc1
InChIInChI=1S/C15H24N2O2/c1-11(2)9-13(16-3)14(18)15(19)17-10-12-7-5-4-6-8-12/h4-8,11,13-14,16,18H,9-10H2,1-3H3,(H,17,19)/t13?,14-/m1/s1
InChIKeyQNEPKDJGQIOXGF-ARLHGKGLSA-N
XLogP1.30
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-benzyl-2-hydroxy-5-methyl-3-(methylaminomethyl)hexanamide
CID 70953139
(2S)-N-benzyl-2-hydroxy-4-methylpentanamide
CID 10822877
(2S,3S)-3-amino-N-benzyl-2-hydroxybutanamide
CID 71428233
(2S,3R)-N-benzyl-3-hydrazinyl-2-hydroxybutanamide
CID 71428235
2-[[(3S)-2-hydroxy-5-methyl-3-(methylamino)hexanoyl]amino]acetic acid
CID 58605317
N-benzyl-3-methyl-2-(methylamino)butanamide
CID 21365821
N-benzyl-2-methylpropanamide;methane
CID 160760567
(2R,3R)-N-benzyl-2,3-dihydroxy-N'-[(2R)-1-phenylpropan-2-yl]butanediamide
CID 59636946
(2S,3R)-N-benzyl-2,3-dihydroxy-3-phenylpropanamide
CID 71048663
(2R)-N-benzyl-2-(chloroamino)-3-methylbutanamide
CID 88902404
(2R)-2-amino-N-[(2S)-1-(benzylamino)-1-oxopropan-2-yl]-4-methylpentanamide
CID 15296843
N-benzyl-3-cyclopropyl-2,3-dihydroxypropanamide
CID 70849144

Frequently Asked Questions

What is the IUPAC name of (2R)-N-benzyl-2-hydroxy-5-methyl-3-(methylamino)hexanamide?
The IUPAC name of (2R)-N-benzyl-2-hydroxy-5-methyl-3-(methylamino)hexanamide (CID 142265085) is (2R)-N-benzyl-2-hydroxy-5-methyl-3-(methylamino)hexanamide.
What is the SMILES notation for (2R)-N-benzyl-2-hydroxy-5-methyl-3-(methylamino)hexanamide?
The canonical SMILES for (2R)-N-benzyl-2-hydroxy-5-methyl-3-(methylamino)hexanamide is CNC(CC(C)C)[C@@H](O)C(=O)NCc1ccccc1.
What is the InChIKey of (2R)-N-benzyl-2-hydroxy-5-methyl-3-(methylamino)hexanamide?
The InChIKey is QNEPKDJGQIOXGF-ARLHGKGLSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-11(2)9-13(16-3)14(18)15(19)17-10-12-7-5-4-6-8-12/h4-8,11,13-14,16,18H,9-10H2,1-3H3,(H,17,19)/t13?,14-/m1/s1.
What are the key properties of (2R)-N-benzyl-2-hydroxy-5-methyl-3-(methylamino)hexanamide?
(2R)-N-benzyl-2-hydroxy-5-methyl-3-(methylamino)hexanamide has a molecular weight of 264.37 g/mol, XLogP of 1.30, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-benzyl-2-hydroxy-5-methyl-3-(methylamino)hexanamide is sourced from PubChem (CID 142265085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).