2,2-dimethyl-4-[2-methyl-4-[methyl(propan-2-yl)amino]butan-2-yl]oxy-N-(2-propan-2-yloxyethyl)butanamide

C20H42N2O3 — CID 176678896

IUPAC2,2-dimethyl-4-[2-methyl-4-[methyl(propan-2-yl)amino]butan-2-yl]oxy-N-(2-propan-2-yloxyethyl)butanamide
SMILESCC(C)OCCNC(=O)C(C)(C)CCOC(C)(C)CCN(C)C(C)C
InChIInChI=1S/C20H42N2O3/c1-16(2)22(9)13-10-20(7,8)25-14-11-19(5,6)18(23)21-12-15-24-17(3)4/h16-17H,10-15H2,1-9H3,(H,21,23)
InChIKeyWRLJBQHCJMSBIX-UHFFFAOYSA-N
MW358.57 g/mol
LogP3.47
Rot. Bonds13

About 2,2-dimethyl-4-[2-methyl-4-[methyl(propan-2-yl)amino]butan-2-yl]oxy-N-(2-propan-2-yloxyethyl)butanamide

2,2-dimethyl-4-[2-methyl-4-[methyl(propan-2-yl)amino]butan-2-yl]oxy-N-(2-propan-2-yloxyethyl)butanamide (PubChem CID 176678896) has the molecular formula C20H42N2O3 and a molecular weight of 358.57 g/mol. Its IUPAC name is 2,2-dimethyl-4-[2-methyl-4-[methyl(propan-2-yl)amino]butan-2-yl]oxy-N-(2-propan-2-yloxyethyl)butanamide.

Molecular Properties

Compound Name2,2-dimethyl-4-[2-methyl-4-[methyl(propan-2-yl)amino]butan-2-yl]oxy-N-(2-propan-2-yloxyethyl)butanamide
PubChem CID176678896
Molecular FormulaC20H42N2O3
Molecular Weight358.57 g/mol
Exact Mass358.32
IUPAC Name2,2-dimethyl-4-[2-methyl-4-[methyl(propan-2-yl)amino]butan-2-yl]oxy-N-(2-propan-2-yloxyethyl)butanamide
SMILESCC(C)OCCNC(=O)C(C)(C)CCOC(C)(C)CCN(C)C(C)C
InChIInChI=1S/C20H42N2O3/c1-16(2)22(9)13-10-20(7,8)25-14-11-19(5,6)18(23)21-12-15-24-17(3)4/h16-17H,10-15H2,1-9H3,(H,21,23)
InChIKeyWRLJBQHCJMSBIX-UHFFFAOYSA-N
XLogP3.47
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.57
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-aminoethyl)-2,2-dimethyl-4-[2-methyl-4-(methylamino)butan-2-yl]oxybutanamide
CID 129027495
N-[2-(dimethylamino)ethyl]-2,2-dimethyl-3-propan-2-yloxypropanamide
CID 88930452
N-[2-(tert-butylamino)ethyl]-2,2-dimethyl-4-(2,5,5-trimethylhexan-2-yloxy)butanamide
CID 134174558
N-[2-[3-[[4-(4-amino-2-methylbutan-2-yl)oxy-2,2-dimethylbutanoyl]amino]propoxy]ethyl]-2,2,5,5-tetramethyl-N-propan-2-ylhexanamide
CID 163857129
3-chloro-2,2-dimethyl-N-[3-[methyl(propan-2-yl)amino]propyl]propanamide
CID 106033672
2-(aminomethyl)-2-methyl-N-(2-propan-2-yloxyethyl)butanamide
CID 104759857
2-amino-2-methyl-N-[3-[methyl(propan-2-yl)amino]propyl]propanamide
CID 106047758
2-(aminomethyl)-2-ethyl-N-(2-propan-2-yloxyethyl)butanamide
CID 104759851
4-(dimethylamino)-N-(2-methoxyethyl)-2,2-dimethylbutanamide
CID 166075571
4-(2,5-dimethyl-4-oxohexan-2-yl)oxy-2,2-dimethyl-N-pentylbutanamide;methanol
CID 168959673
4-(dimethylamino)-N-(2-methoxyethyl)-2,2-dimethylbutanamide;ethane
CID 166075570
3-amino-2,2-dimethyl-N-(3-propan-2-yloxypropyl)propanamide
CID 81484725

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-4-[2-methyl-4-[methyl(propan-2-yl)amino]butan-2-yl]oxy-N-(2-propan-2-yloxyethyl)butanamide?
The IUPAC name of 2,2-dimethyl-4-[2-methyl-4-[methyl(propan-2-yl)amino]butan-2-yl]oxy-N-(2-propan-2-yloxyethyl)butanamide (CID 176678896) is 2,2-dimethyl-4-[2-methyl-4-[methyl(propan-2-yl)amino]butan-2-yl]oxy-N-(2-propan-2-yloxyethyl)butanamide.
What is the SMILES notation for 2,2-dimethyl-4-[2-methyl-4-[methyl(propan-2-yl)amino]butan-2-yl]oxy-N-(2-propan-2-yloxyethyl)butanamide?
The canonical SMILES for 2,2-dimethyl-4-[2-methyl-4-[methyl(propan-2-yl)amino]butan-2-yl]oxy-N-(2-propan-2-yloxyethyl)butanamide is CC(C)OCCNC(=O)C(C)(C)CCOC(C)(C)CCN(C)C(C)C.
What is the InChIKey of 2,2-dimethyl-4-[2-methyl-4-[methyl(propan-2-yl)amino]butan-2-yl]oxy-N-(2-propan-2-yloxyethyl)butanamide?
The InChIKey is WRLJBQHCJMSBIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H42N2O3/c1-16(2)22(9)13-10-20(7,8)25-14-11-19(5,6)18(23)21-12-15-24-17(3)4/h16-17H,10-15H2,1-9H3,(H,21,23).
What are the key properties of 2,2-dimethyl-4-[2-methyl-4-[methyl(propan-2-yl)amino]butan-2-yl]oxy-N-(2-propan-2-yloxyethyl)butanamide?
2,2-dimethyl-4-[2-methyl-4-[methyl(propan-2-yl)amino]butan-2-yl]oxy-N-(2-propan-2-yloxyethyl)butanamide has a molecular weight of 358.57 g/mol, XLogP of 3.47, 13 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-4-[2-methyl-4-[methyl(propan-2-yl)amino]butan-2-yl]oxy-N-(2-propan-2-yloxyethyl)butanamide is sourced from PubChem (CID 176678896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).