(2S)-2-(2-ethoxyethylamino)-2,4-dimethylpentanamide

C11H24N2O2 — CID 95636090

IUPAC(2S)-2-(2-ethoxyethylamino)-2,4-dimethylpentanamide
SMILESCCOCCN[C@@](C)(CC(C)C)C(N)=O
InChIInChI=1S/C11H24N2O2/c1-5-15-7-6-13-11(4,10(12)14)8-9(2)3/h9,13H,5-8H2,1-4H3,(H2,12,14)/t11-/m0/s1
InChIKeyKJDVAVYTSARWCK-NSHDSACASA-N
MW216.32 g/mol
LogP0.90
Rot. Bonds8

About (2S)-2-(2-ethoxyethylamino)-2,4-dimethylpentanamide

(2S)-2-(2-ethoxyethylamino)-2,4-dimethylpentanamide (PubChem CID 95636090) has the molecular formula C11H24N2O2 and a molecular weight of 216.32 g/mol. Its IUPAC name is (2S)-2-(2-ethoxyethylamino)-2,4-dimethylpentanamide.

Molecular Properties

Compound Name(2S)-2-(2-ethoxyethylamino)-2,4-dimethylpentanamide
PubChem CID95636090
Molecular FormulaC11H24N2O2
Molecular Weight216.32 g/mol
Exact Mass216.18
IUPAC Name(2S)-2-(2-ethoxyethylamino)-2,4-dimethylpentanamide
SMILESCCOCCN[C@@](C)(CC(C)C)C(N)=O
InChIInChI=1S/C11H24N2O2/c1-5-15-7-6-13-11(4,10(12)14)8-9(2)3/h9,13H,5-8H2,1-4H3,(H2,12,14)/t11-/m0/s1
InChIKeyKJDVAVYTSARWCK-NSHDSACASA-N
XLogP0.90
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 50.90
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

2-(2-ethoxyethylamino)-2,4-dimethylpentanoic acid
CID 114989242
2-[2-(2-methoxyethoxy)ethylamino]-2,4-dimethylpentanoic acid
CID 114999552
2-[2-(2-hydroxyethoxy)ethylamino]-2,4-dimethylpentanoic acid
CID 115000691
2-methyl-4-[(2-methylpropan-2-yl)oxy]-2-(propylamino)pentanamide
CID 64709010
4-[2-ethoxyethyl(methyl)amino]-2-methyl-2-(propan-2-ylamino)pentanamide
CID 81061737
2-methyl-4-propan-2-ylsulfanyl-2-(propylamino)pentanamide
CID 64709561
4-[2-methoxyethyl(methyl)amino]-2-methyl-2-(propylamino)pentanamide
CID 64710690
ethyl 2,4-dimethyl-2-(2-methylpropylamino)pentanoate
CID 61001690
2-(ethylamino)-2-methyl-4-propoxypentanamide
CID 64708736
4-ethylsulfanyl-2-methyl-2-(propylamino)pentanamide
CID 64710629
4-(3-methoxy-3-methylbutoxy)-2-methyl-2-(propylamino)pentanamide
CID 106666691
2-methyl-2-(propylamino)-4-propylsulfanylpentanamide
CID 64711997

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-ethoxyethylamino)-2,4-dimethylpentanamide?
The IUPAC name of (2S)-2-(2-ethoxyethylamino)-2,4-dimethylpentanamide (CID 95636090) is (2S)-2-(2-ethoxyethylamino)-2,4-dimethylpentanamide.
What is the SMILES notation for (2S)-2-(2-ethoxyethylamino)-2,4-dimethylpentanamide?
The canonical SMILES for (2S)-2-(2-ethoxyethylamino)-2,4-dimethylpentanamide is CCOCCN[C@@](C)(CC(C)C)C(N)=O.
What is the InChIKey of (2S)-2-(2-ethoxyethylamino)-2,4-dimethylpentanamide?
The InChIKey is KJDVAVYTSARWCK-NSHDSACASA-N. The full InChI is InChI=1S/C11H24N2O2/c1-5-15-7-6-13-11(4,10(12)14)8-9(2)3/h9,13H,5-8H2,1-4H3,(H2,12,14)/t11-/m0/s1.
What are the key properties of (2S)-2-(2-ethoxyethylamino)-2,4-dimethylpentanamide?
(2S)-2-(2-ethoxyethylamino)-2,4-dimethylpentanamide has a molecular weight of 216.32 g/mol, XLogP of 0.90, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-ethoxyethylamino)-2,4-dimethylpentanamide is sourced from PubChem (CID 95636090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).