(2S)-4-methyl-2-(methylamino)-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]pentanamide

C13H28N2O2 — CID 146517704

IUPAC(2S)-4-methyl-2-(methylamino)-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]pentanamide
SMILESCN[C@@H](CC(C)C)C(=O)NCCOC(C)(C)C
InChIInChI=1S/C13H28N2O2/c1-10(2)9-11(14-6)12(16)15-7-8-17-13(3,4)5/h10-11,14H,7-9H2,1-6H3,(H,15,16)/t11-/m0/s1
InChIKeyLUHAPEUXHGIVLY-NSHDSACASA-N
MW244.38 g/mol
LogP1.55
Rot. Bonds7

About (2S)-4-methyl-2-(methylamino)-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]pentanamide

(2S)-4-methyl-2-(methylamino)-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]pentanamide (PubChem CID 146517704) has the molecular formula C13H28N2O2 and a molecular weight of 244.38 g/mol. Its IUPAC name is (2S)-4-methyl-2-(methylamino)-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]pentanamide.

Molecular Properties

Compound Name(2S)-4-methyl-2-(methylamino)-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]pentanamide
PubChem CID146517704
Molecular FormulaC13H28N2O2
Molecular Weight244.38 g/mol
Exact Mass244.22
IUPAC Name(2S)-4-methyl-2-(methylamino)-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]pentanamide
SMILESCN[C@@H](CC(C)C)C(=O)NCCOC(C)(C)C
InChIInChI=1S/C13H28N2O2/c1-10(2)9-11(14-6)12(16)15-7-8-17-13(3,4)5/h10-11,14H,7-9H2,1-6H3,(H,15,16)/t11-/m0/s1
InChIKeyLUHAPEUXHGIVLY-NSHDSACASA-N
XLogP1.55
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-4-methyl-2-(methylamino)pentanamide
CID 155260519
N,4-dimethyl-2-(methylamino)pentanamide
CID 72516454
(2S)-4-methyl-2-(methylamino)-N-(2-oxoethyl)pentanamide
CID 155260422
N-[2-[(2-methylpropan-2-yl)oxy]ethyl]acetamide
CID 54494115
(2S)-N-[2-[2-[[2-[bis(2-acetamidoethyl)amino]acetyl]amino]ethoxy]ethyl]-4-methyl-2-(methylamino)pentanamide
CID 58601893
ethyl (2E)-2-[[(2S)-4-methyl-2-(methylamino)pentanoyl]hydrazinylidene]acetate
CID 89292583
S-methyl N-[2-[(2-methylpropan-2-yl)oxy]ethyl]carbamothioate
CID 139518855
3,3-dimethyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]butanamide
CID 155613017
4-methyl-2-[2-(methylamino)butanoylamino]-N-propylpentanamide
CID 166698451
methyl (2S)-4-methyl-2-(methylamino)pentanoate;hydrochloride
CID 75487996
tert-butyl N-[(2S)-1-(ethylamino)-4-methyl-1-oxopentan-2-yl]carbamate
CID 7038768
(2S)-N-cyclopropyl-4-methyl-2-(methylamino)pentanamide
CID 163408446

Frequently Asked Questions

What is the IUPAC name of (2S)-4-methyl-2-(methylamino)-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]pentanamide?
The IUPAC name of (2S)-4-methyl-2-(methylamino)-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]pentanamide (CID 146517704) is (2S)-4-methyl-2-(methylamino)-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]pentanamide.
What is the SMILES notation for (2S)-4-methyl-2-(methylamino)-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]pentanamide?
The canonical SMILES for (2S)-4-methyl-2-(methylamino)-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]pentanamide is CN[C@@H](CC(C)C)C(=O)NCCOC(C)(C)C.
What is the InChIKey of (2S)-4-methyl-2-(methylamino)-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]pentanamide?
The InChIKey is LUHAPEUXHGIVLY-NSHDSACASA-N. The full InChI is InChI=1S/C13H28N2O2/c1-10(2)9-11(14-6)12(16)15-7-8-17-13(3,4)5/h10-11,14H,7-9H2,1-6H3,(H,15,16)/t11-/m0/s1.
What are the key properties of (2S)-4-methyl-2-(methylamino)-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]pentanamide?
(2S)-4-methyl-2-(methylamino)-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]pentanamide has a molecular weight of 244.38 g/mol, XLogP of 1.55, 7 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-[2-[(2-methylpropan-2-yl)oxy]ethyl]pentanamide is sourced from PubChem (CID 146517704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).