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

C16H26N2O2 — CID 70953139

IUPAC(2R)-N-benzyl-2-hydroxy-5-methyl-3-(methylaminomethyl)hexanamide
SMILESCNCC(CC(C)C)[C@@H](O)C(=O)NCc1ccccc1
InChIInChI=1S/C16H26N2O2/c1-12(2)9-14(11-17-3)15(19)16(20)18-10-13-7-5-4-6-8-13/h4-8,12,14-15,17,19H,9-11H2,1-3H3,(H,18,20)/t14?,15-/m1/s1
InChIKeySSYIDXHNYZGOAF-YSSOQSIOSA-N
MW278.40 g/mol
LogP1.55
Rot. Bonds8

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

(2R)-N-benzyl-2-hydroxy-5-methyl-3-(methylaminomethyl)hexanamide (PubChem CID 70953139) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is (2R)-N-benzyl-2-hydroxy-5-methyl-3-(methylaminomethyl)hexanamide.

Molecular Properties

Compound Name(2R)-N-benzyl-2-hydroxy-5-methyl-3-(methylaminomethyl)hexanamide
PubChem CID70953139
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name(2R)-N-benzyl-2-hydroxy-5-methyl-3-(methylaminomethyl)hexanamide
SMILESCNCC(CC(C)C)[C@@H](O)C(=O)NCc1ccccc1
InChIInChI=1S/C16H26N2O2/c1-12(2)9-14(11-17-3)15(19)16(20)18-10-13-7-5-4-6-8-13/h4-8,12,14-15,17,19H,9-11H2,1-3H3,(H,18,20)/t14?,15-/m1/s1
InChIKeySSYIDXHNYZGOAF-YSSOQSIOSA-N
XLogP1.55
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-benzyl-2-hydroxy-5-methyl-3-(methylamino)hexanamide
CID 142265085
(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
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
N-benzyl-3-methyl-2-(methylamino)butanamide
CID 21365821
(2R)-2-amino-N-[(2S)-1-(benzylamino)-1-oxopropan-2-yl]-4-methylpentanamide
CID 15296843
N-benzyl-3-cyclopropyl-2,3-dihydroxypropanamide
CID 70849144
N-benzyl-2-(methylcarbamoylamino)propanamide
CID 47377374
2-amino-N-benzyl-3-methylbutanamide
CID 14404632

Frequently Asked Questions

What is the IUPAC name of (2R)-N-benzyl-2-hydroxy-5-methyl-3-(methylaminomethyl)hexanamide?
The IUPAC name of (2R)-N-benzyl-2-hydroxy-5-methyl-3-(methylaminomethyl)hexanamide (CID 70953139) is (2R)-N-benzyl-2-hydroxy-5-methyl-3-(methylaminomethyl)hexanamide.
What is the SMILES notation for (2R)-N-benzyl-2-hydroxy-5-methyl-3-(methylaminomethyl)hexanamide?
The canonical SMILES for (2R)-N-benzyl-2-hydroxy-5-methyl-3-(methylaminomethyl)hexanamide is CNCC(CC(C)C)[C@@H](O)C(=O)NCc1ccccc1.
What is the InChIKey of (2R)-N-benzyl-2-hydroxy-5-methyl-3-(methylaminomethyl)hexanamide?
The InChIKey is SSYIDXHNYZGOAF-YSSOQSIOSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-12(2)9-14(11-17-3)15(19)16(20)18-10-13-7-5-4-6-8-13/h4-8,12,14-15,17,19H,9-11H2,1-3H3,(H,18,20)/t14?,15-/m1/s1.
What are the key properties of (2R)-N-benzyl-2-hydroxy-5-methyl-3-(methylaminomethyl)hexanamide?
(2R)-N-benzyl-2-hydroxy-5-methyl-3-(methylaminomethyl)hexanamide has a molecular weight of 278.40 g/mol, XLogP of 1.55, 8 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-(methylaminomethyl)hexanamide is sourced from PubChem (CID 70953139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).