(2S)-4-methyl-2-(methylamino)-N-[(3S)-2-methyl-4-oxoheptan-3-yl]pentanamide

C15H30N2O2 — CID 71315121

IUPAC(2S)-4-methyl-2-(methylamino)-N-[(3S)-2-methyl-4-oxoheptan-3-yl]pentanamide
SMILESCCCC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC)C(C)C
InChIInChI=1S/C15H30N2O2/c1-7-8-13(18)14(11(4)5)17-15(19)12(16-6)9-10(2)3/h10-12,14,16H,7-9H2,1-6H3,(H,17,19)/t12-,14-/m0/s1
InChIKeyHEVMUOUXCCOQBM-JSGCOSHPSA-N
MW270.42 g/mol
LogP2.13
Rot. Bonds9

About (2S)-4-methyl-2-(methylamino)-N-[(3S)-2-methyl-4-oxoheptan-3-yl]pentanamide

(2S)-4-methyl-2-(methylamino)-N-[(3S)-2-methyl-4-oxoheptan-3-yl]pentanamide (PubChem CID 71315121) has the molecular formula C15H30N2O2 and a molecular weight of 270.42 g/mol. Its IUPAC name is (2S)-4-methyl-2-(methylamino)-N-[(3S)-2-methyl-4-oxoheptan-3-yl]pentanamide.

Molecular Properties

Compound Name(2S)-4-methyl-2-(methylamino)-N-[(3S)-2-methyl-4-oxoheptan-3-yl]pentanamide
PubChem CID71315121
Molecular FormulaC15H30N2O2
Molecular Weight270.42 g/mol
Exact Mass270.23
IUPAC Name(2S)-4-methyl-2-(methylamino)-N-[(3S)-2-methyl-4-oxoheptan-3-yl]pentanamide
SMILESCCCC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC)C(C)C
InChIInChI=1S/C15H30N2O2/c1-7-8-13(18)14(11(4)5)17-15(19)12(16-6)9-10(2)3/h10-12,14,16H,7-9H2,1-6H3,(H,17,19)/t12-,14-/m0/s1
InChIKeyHEVMUOUXCCOQBM-JSGCOSHPSA-N
XLogP2.13
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-2-[[4-methyl-2-(methylamino)pentanoyl]amino]butanoic acid
CID 118551241
[(E,5R,6R)-5-methyl-7-(methylamino)-8-oxopentadec-2-en-6-yl] (2S)-3-methyl-2-[[(2S)-4-methyl-2-(methylamino)pentanoyl]amino]butanoate
CID 71749549
N,4-dimethyl-2-(methylamino)pentanamide
CID 72516454
(E,2R,6R,7R)-2-(butylamino)-10,11,11,11-tetradeuterio-5-(dimethylamino)-6-hydroxy-7-methylundec-9-ene-3,4-dione;(2S)-4-methyl-2-(methylamino)-N-[(3S)-2-methyl-4-oxoheptan-3-yl]pentanamide
CID 71315123
N-ethyl-4-methyl-2-(methylamino)pentanamide
CID 155260519
4-methyl-2-[2-(methylamino)butanoylamino]-N-propylpentanamide
CID 166698451
(2S)-4-methyl-2-(methylamino)-N-[(2S)-4-methyl-1-oxo-1-[[(2S)-1-oxoheptan-2-yl]amino]pentan-2-yl]pentanamide
CID 156566910
(2S)-N-[(2S,3R)-3-hydroxy-1-[[[(2S)-1-[[(2S,3R)-3-hydroxy-1-(methylamino)-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]methylamino]-1-oxobutan-2-yl]-4-methyl-2-(methylamino)pentanamide
CID 146168203
(2S)-3-methyl-2-[[4-methyl-2-(3-methylbutanoylamino)pentanoyl]amino]butanoic acid
CID 90070574
2-[[2-(butanoylamino)-3-hydroxypropanoyl]amino]-3-methylbutanoic acid
CID 174901814
(2S)-N-cyclopropyl-4-methyl-2-(methylamino)pentanamide
CID 163408446
tert-butyl (2S)-2-[methyl-[(2S,3S)-3-methyl-2-[[(2S)-4-methyl-2-(methylamino)pentanoyl]amino]pentanoyl]amino]propanoate
CID 171514190

Frequently Asked Questions

What is the IUPAC name of (2S)-4-methyl-2-(methylamino)-N-[(3S)-2-methyl-4-oxoheptan-3-yl]pentanamide?
The IUPAC name of (2S)-4-methyl-2-(methylamino)-N-[(3S)-2-methyl-4-oxoheptan-3-yl]pentanamide (CID 71315121) is (2S)-4-methyl-2-(methylamino)-N-[(3S)-2-methyl-4-oxoheptan-3-yl]pentanamide.
What is the SMILES notation for (2S)-4-methyl-2-(methylamino)-N-[(3S)-2-methyl-4-oxoheptan-3-yl]pentanamide?
The canonical SMILES for (2S)-4-methyl-2-(methylamino)-N-[(3S)-2-methyl-4-oxoheptan-3-yl]pentanamide is CCCC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC)C(C)C.
What is the InChIKey of (2S)-4-methyl-2-(methylamino)-N-[(3S)-2-methyl-4-oxoheptan-3-yl]pentanamide?
The InChIKey is HEVMUOUXCCOQBM-JSGCOSHPSA-N. The full InChI is InChI=1S/C15H30N2O2/c1-7-8-13(18)14(11(4)5)17-15(19)12(16-6)9-10(2)3/h10-12,14,16H,7-9H2,1-6H3,(H,17,19)/t12-,14-/m0/s1.
What are the key properties of (2S)-4-methyl-2-(methylamino)-N-[(3S)-2-methyl-4-oxoheptan-3-yl]pentanamide?
(2S)-4-methyl-2-(methylamino)-N-[(3S)-2-methyl-4-oxoheptan-3-yl]pentanamide has a molecular weight of 270.42 g/mol, XLogP of 2.13, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-methyl-2-(methylamino)-N-[(3S)-2-methyl-4-oxoheptan-3-yl]pentanamide is sourced from PubChem (CID 71315121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).