N-[2-(tert-butylamino)ethyl]-2,2-dimethyl-4-(2,5,5-trimethylhexan-2-yloxy)butanamide

C21H44N2O2 — CID 134174558

IUPACN-[2-(tert-butylamino)ethyl]-2,2-dimethyl-4-(2,5,5-trimethylhexan-2-yloxy)butanamide
SMILESCC(C)(C)CCC(C)(C)OCCC(C)(C)C(=O)NCCNC(C)(C)C
InChIInChI=1S/C21H44N2O2/c1-18(2,3)11-12-21(9,10)25-16-13-20(7,8)17(24)22-14-15-23-19(4,5)6/h23H,11-16H2,1-10H3,(H,22,24)
InChIKeyCGLZLAKNRDNFTD-UHFFFAOYSA-N
MW356.60 g/mol
LogP4.53
Rot. Bonds10

About N-[2-(tert-butylamino)ethyl]-2,2-dimethyl-4-(2,5,5-trimethylhexan-2-yloxy)butanamide

N-[2-(tert-butylamino)ethyl]-2,2-dimethyl-4-(2,5,5-trimethylhexan-2-yloxy)butanamide (PubChem CID 134174558) has the molecular formula C21H44N2O2 and a molecular weight of 356.60 g/mol. Its IUPAC name is N-[2-(tert-butylamino)ethyl]-2,2-dimethyl-4-(2,5,5-trimethylhexan-2-yloxy)butanamide.

Molecular Properties

Compound NameN-[2-(tert-butylamino)ethyl]-2,2-dimethyl-4-(2,5,5-trimethylhexan-2-yloxy)butanamide
PubChem CID134174558
Molecular FormulaC21H44N2O2
Molecular Weight356.60 g/mol
Exact Mass356.34
IUPAC NameN-[2-(tert-butylamino)ethyl]-2,2-dimethyl-4-(2,5,5-trimethylhexan-2-yloxy)butanamide
SMILESCC(C)(C)CCC(C)(C)OCCC(C)(C)C(=O)NCCNC(C)(C)C
InChIInChI=1S/C21H44N2O2/c1-18(2,3)11-12-21(9,10)25-16-13-20(7,8)17(24)22-14-15-23-19(4,5)6/h23H,11-16H2,1-10H3,(H,22,24)
InChIKeyCGLZLAKNRDNFTD-UHFFFAOYSA-N
XLogP4.53
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.60
LogP ≤ 54.53
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-(2-aminoethyl)-2,2-dimethyl-4-[2-methyl-4-(methylamino)butan-2-yl]oxybutanamide
CID 129027495
2,2-dimethyl-N-[3-methyl-3-[3-methyl-3-(methylamino)butoxy]butyl]-4-(2-methylpentan-2-yloxy)butanamide;ethane
CID 162756506
N-butyl-4-[4-[[2,2-dimethyl-4-(2-methyl-4-propoxybutan-2-yl)oxybutanoyl]amino]-2-methylbutan-2-yl]oxy-2,2-dimethylbutanamide
CID 162756252
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
2,2-dimethyl-4-[2-methyl-4-[methyl(propan-2-yl)amino]butan-2-yl]oxy-N-(2-propan-2-yloxyethyl)butanamide
CID 176678896
N-(2-hydroxyethyl)-4-(2-hydroxyethylamino)oxy-2,2-dimethylbutanamide
CID 58881510
2,2-dimethyl-4-[2-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]butan-2-yl]oxybutanoic acid
CID 123714443
N-[4-[6-(tert-butylamino)-2-methylhexan-2-yl]oxy-2-methylbutan-2-yl]acetamide
CID 162684940
4-(2,5-dimethyl-4-oxohexan-2-yl)oxy-2,2-dimethyl-N-pentylbutanamide;methanol
CID 168959673
2,2,4,4-tetramethyl-5-[[3-methyl-3-[3-methyl-3-(methylamino)butoxy]butyl]amino]-5-oxopentanoic acid
CID 134502976
N-(2-methoxyethyl)-2,2-dimethyl-4-[2-methyl-1-(pentanoylamino)propan-2-yl]oxybutanamide
CID 156710702
2,2,5,5-tetramethyl-N-(2-methylsulfonylethyl)hexanamide
CID 130266058

Frequently Asked Questions

What is the IUPAC name of N-[2-(tert-butylamino)ethyl]-2,2-dimethyl-4-(2,5,5-trimethylhexan-2-yloxy)butanamide?
The IUPAC name of N-[2-(tert-butylamino)ethyl]-2,2-dimethyl-4-(2,5,5-trimethylhexan-2-yloxy)butanamide (CID 134174558) is N-[2-(tert-butylamino)ethyl]-2,2-dimethyl-4-(2,5,5-trimethylhexan-2-yloxy)butanamide.
What is the SMILES notation for N-[2-(tert-butylamino)ethyl]-2,2-dimethyl-4-(2,5,5-trimethylhexan-2-yloxy)butanamide?
The canonical SMILES for N-[2-(tert-butylamino)ethyl]-2,2-dimethyl-4-(2,5,5-trimethylhexan-2-yloxy)butanamide is CC(C)(C)CCC(C)(C)OCCC(C)(C)C(=O)NCCNC(C)(C)C.
What is the InChIKey of N-[2-(tert-butylamino)ethyl]-2,2-dimethyl-4-(2,5,5-trimethylhexan-2-yloxy)butanamide?
The InChIKey is CGLZLAKNRDNFTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H44N2O2/c1-18(2,3)11-12-21(9,10)25-16-13-20(7,8)17(24)22-14-15-23-19(4,5)6/h23H,11-16H2,1-10H3,(H,22,24).
What are the key properties of N-[2-(tert-butylamino)ethyl]-2,2-dimethyl-4-(2,5,5-trimethylhexan-2-yloxy)butanamide?
N-[2-(tert-butylamino)ethyl]-2,2-dimethyl-4-(2,5,5-trimethylhexan-2-yloxy)butanamide has a molecular weight of 356.60 g/mol, XLogP of 4.53, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(tert-butylamino)ethyl]-2,2-dimethyl-4-(2,5,5-trimethylhexan-2-yloxy)butanamide is sourced from PubChem (CID 134174558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).