(2R)-N-[(2S)-1-(dimethylamino)-3,3-dimethyl-1-oxobutan-2-yl]-2-[[formyl(methyl)amino]methyl]hexanamide

C17H33N3O3 — CID 59902232

IUPAC(2R)-N-[(2S)-1-(dimethylamino)-3,3-dimethyl-1-oxobutan-2-yl]-2-[[formyl(methyl)amino]methyl]hexanamide
SMILESCCCC[C@H](CN(C)C=O)C(=O)N[C@H](C(=O)N(C)C)C(C)(C)C
InChIInChI=1S/C17H33N3O3/c1-8-9-10-13(11-20(7)12-21)15(22)18-14(17(2,3)4)16(23)19(5)6/h12-14H,8-11H2,1-7H3,(H,18,22)/t13-,14-/m1/s1
InChIKeyPUFVRSUTPBBZQI-ZIAGYGMSSA-N
MW327.47 g/mol
LogP1.50
Rot. Bonds9

About (2R)-N-[(2S)-1-(dimethylamino)-3,3-dimethyl-1-oxobutan-2-yl]-2-[[formyl(methyl)amino]methyl]hexanamide

(2R)-N-[(2S)-1-(dimethylamino)-3,3-dimethyl-1-oxobutan-2-yl]-2-[[formyl(methyl)amino]methyl]hexanamide (PubChem CID 59902232) has the molecular formula C17H33N3O3 and a molecular weight of 327.47 g/mol. Its IUPAC name is (2R)-N-[(2S)-1-(dimethylamino)-3,3-dimethyl-1-oxobutan-2-yl]-2-[[formyl(methyl)amino]methyl]hexanamide.

Molecular Properties

Compound Name(2R)-N-[(2S)-1-(dimethylamino)-3,3-dimethyl-1-oxobutan-2-yl]-2-[[formyl(methyl)amino]methyl]hexanamide
PubChem CID59902232
Molecular FormulaC17H33N3O3
Molecular Weight327.47 g/mol
Exact Mass327.25
IUPAC Name(2R)-N-[(2S)-1-(dimethylamino)-3,3-dimethyl-1-oxobutan-2-yl]-2-[[formyl(methyl)amino]methyl]hexanamide
SMILESCCCC[C@H](CN(C)C=O)C(=O)N[C@H](C(=O)N(C)C)C(C)(C)C
InChIInChI=1S/C17H33N3O3/c1-8-9-10-13(11-20(7)12-21)15(22)18-14(17(2,3)4)16(23)19(5)6/h12-14H,8-11H2,1-7H3,(H,18,22)/t13-,14-/m1/s1
InChIKeyPUFVRSUTPBBZQI-ZIAGYGMSSA-N
XLogP1.50
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.47
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(2S)-1-(dimethylamino)-3,3-dimethyl-1-oxobutan-2-yl]-2-[[formyl(methyl)amino]methyl]hexanamide?
The IUPAC name of (2R)-N-[(2S)-1-(dimethylamino)-3,3-dimethyl-1-oxobutan-2-yl]-2-[[formyl(methyl)amino]methyl]hexanamide (CID 59902232) is (2R)-N-[(2S)-1-(dimethylamino)-3,3-dimethyl-1-oxobutan-2-yl]-2-[[formyl(methyl)amino]methyl]hexanamide.
What is the SMILES notation for (2R)-N-[(2S)-1-(dimethylamino)-3,3-dimethyl-1-oxobutan-2-yl]-2-[[formyl(methyl)amino]methyl]hexanamide?
The canonical SMILES for (2R)-N-[(2S)-1-(dimethylamino)-3,3-dimethyl-1-oxobutan-2-yl]-2-[[formyl(methyl)amino]methyl]hexanamide is CCCC[C@H](CN(C)C=O)C(=O)N[C@H](C(=O)N(C)C)C(C)(C)C.
What is the InChIKey of (2R)-N-[(2S)-1-(dimethylamino)-3,3-dimethyl-1-oxobutan-2-yl]-2-[[formyl(methyl)amino]methyl]hexanamide?
The InChIKey is PUFVRSUTPBBZQI-ZIAGYGMSSA-N. The full InChI is InChI=1S/C17H33N3O3/c1-8-9-10-13(11-20(7)12-21)15(22)18-14(17(2,3)4)16(23)19(5)6/h12-14H,8-11H2,1-7H3,(H,18,22)/t13-,14-/m1/s1.
What are the key properties of (2R)-N-[(2S)-1-(dimethylamino)-3,3-dimethyl-1-oxobutan-2-yl]-2-[[formyl(methyl)amino]methyl]hexanamide?
(2R)-N-[(2S)-1-(dimethylamino)-3,3-dimethyl-1-oxobutan-2-yl]-2-[[formyl(methyl)amino]methyl]hexanamide has a molecular weight of 327.47 g/mol, XLogP of 1.50, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(2S)-1-(dimethylamino)-3,3-dimethyl-1-oxobutan-2-yl]-2-[[formyl(methyl)amino]methyl]hexanamide is sourced from PubChem (CID 59902232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).