(2S)-2-amino-N-(2,2-dimethoxyethyl)-4-methyl-N-(3-methylbutyl)pentanamide

C15H32N2O3 — CID 167004177

IUPAC(2S)-2-amino-N-(2,2-dimethoxyethyl)-4-methyl-N-(3-methylbutyl)pentanamide
SMILESCOC(CN(CCC(C)C)C(=O)[C@@H](N)CC(C)C)OC
InChIInChI=1S/C15H32N2O3/c1-11(2)7-8-17(10-14(19-5)20-6)15(18)13(16)9-12(3)4/h11-14H,7-10,16H2,1-6H3/t13-/m0/s1
InChIKeyZCYIPFVGPHFXSW-ZDUSSCGKSA-N
MW288.43 g/mol
LogP1.85
Rot. Bonds10

About (2S)-2-amino-N-(2,2-dimethoxyethyl)-4-methyl-N-(3-methylbutyl)pentanamide

(2S)-2-amino-N-(2,2-dimethoxyethyl)-4-methyl-N-(3-methylbutyl)pentanamide (PubChem CID 167004177) has the molecular formula C15H32N2O3 and a molecular weight of 288.43 g/mol. Its IUPAC name is (2S)-2-amino-N-(2,2-dimethoxyethyl)-4-methyl-N-(3-methylbutyl)pentanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(2,2-dimethoxyethyl)-4-methyl-N-(3-methylbutyl)pentanamide
PubChem CID167004177
Molecular FormulaC15H32N2O3
Molecular Weight288.43 g/mol
Exact Mass288.24
IUPAC Name(2S)-2-amino-N-(2,2-dimethoxyethyl)-4-methyl-N-(3-methylbutyl)pentanamide
SMILESCOC(CN(CCC(C)C)C(=O)[C@@H](N)CC(C)C)OC
InChIInChI=1S/C15H32N2O3/c1-11(2)7-8-17(10-14(19-5)20-6)15(18)13(16)9-12(3)4/h11-14H,7-10,16H2,1-6H3/t13-/m0/s1
InChIKeyZCYIPFVGPHFXSW-ZDUSSCGKSA-N
XLogP1.85
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.43
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(2,2-dimethoxyethyl)-4-methyl-N-(3-methylbutyl)pentanamide?
The IUPAC name of (2S)-2-amino-N-(2,2-dimethoxyethyl)-4-methyl-N-(3-methylbutyl)pentanamide (CID 167004177) is (2S)-2-amino-N-(2,2-dimethoxyethyl)-4-methyl-N-(3-methylbutyl)pentanamide.
What is the SMILES notation for (2S)-2-amino-N-(2,2-dimethoxyethyl)-4-methyl-N-(3-methylbutyl)pentanamide?
The canonical SMILES for (2S)-2-amino-N-(2,2-dimethoxyethyl)-4-methyl-N-(3-methylbutyl)pentanamide is COC(CN(CCC(C)C)C(=O)[C@@H](N)CC(C)C)OC.
What is the InChIKey of (2S)-2-amino-N-(2,2-dimethoxyethyl)-4-methyl-N-(3-methylbutyl)pentanamide?
The InChIKey is ZCYIPFVGPHFXSW-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H32N2O3/c1-11(2)7-8-17(10-14(19-5)20-6)15(18)13(16)9-12(3)4/h11-14H,7-10,16H2,1-6H3/t13-/m0/s1.
What are the key properties of (2S)-2-amino-N-(2,2-dimethoxyethyl)-4-methyl-N-(3-methylbutyl)pentanamide?
(2S)-2-amino-N-(2,2-dimethoxyethyl)-4-methyl-N-(3-methylbutyl)pentanamide has a molecular weight of 288.43 g/mol, XLogP of 1.85, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(2,2-dimethoxyethyl)-4-methyl-N-(3-methylbutyl)pentanamide is sourced from PubChem (CID 167004177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).