N-(2-aminoethyl)-2,2-dimethyl-4-[2-methyl-4-(methylamino)butan-2-yl]oxybutanamide

C14H31N3O2 — CID 129027495

IUPACN-(2-aminoethyl)-2,2-dimethyl-4-[2-methyl-4-(methylamino)butan-2-yl]oxybutanamide
SMILESCNCCC(C)(C)OCCC(C)(C)C(=O)NCCN
InChIInChI=1S/C14H31N3O2/c1-13(2,12(18)17-10-8-15)7-11-19-14(3,4)6-9-16-5/h16H,6-11,15H2,1-5H3,(H,17,18)
InChIKeyDEWXYXLXDYZXGE-UHFFFAOYSA-N
MW273.42 g/mol
LogP0.88
Rot. Bonds10

About N-(2-aminoethyl)-2,2-dimethyl-4-[2-methyl-4-(methylamino)butan-2-yl]oxybutanamide

N-(2-aminoethyl)-2,2-dimethyl-4-[2-methyl-4-(methylamino)butan-2-yl]oxybutanamide (PubChem CID 129027495) has the molecular formula C14H31N3O2 and a molecular weight of 273.42 g/mol. Its IUPAC name is N-(2-aminoethyl)-2,2-dimethyl-4-[2-methyl-4-(methylamino)butan-2-yl]oxybutanamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-2,2-dimethyl-4-[2-methyl-4-(methylamino)butan-2-yl]oxybutanamide
PubChem CID129027495
Molecular FormulaC14H31N3O2
Molecular Weight273.42 g/mol
Exact Mass273.24
IUPAC NameN-(2-aminoethyl)-2,2-dimethyl-4-[2-methyl-4-(methylamino)butan-2-yl]oxybutanamide
SMILESCNCCC(C)(C)OCCC(C)(C)C(=O)NCCN
InChIInChI=1S/C14H31N3O2/c1-13(2,12(18)17-10-8-15)7-11-19-14(3,4)6-9-16-5/h16H,6-11,15H2,1-5H3,(H,17,18)
InChIKeyDEWXYXLXDYZXGE-UHFFFAOYSA-N
XLogP0.88
TPSA76.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 50.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2,2-dimethyl-N-[3-methyl-3-[3-methyl-3-(methylamino)butoxy]butyl]-4-(2-methylpentan-2-yloxy)butanamide;ethane
CID 162756506
3-ethyl-3-methyl-5-[2-methyl-4-(methylamino)butan-2-yl]oxypentan-2-one
CID 142391928
bis[3-(2-aminoethylamino)-2,2-dimethyl-3-oxopropyl] oxalate
CID 57214184
N-[2-(tert-butylamino)ethyl]-2,2-dimethyl-4-(2,5,5-trimethylhexan-2-yloxy)butanamide
CID 134174558
3-[3-(2-aminoethoxy)-3-methylbutoxy]-N,3-dimethylbutan-1-amine;propanal
CID 145317497
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-[3-[3-(2-aminoethoxy)-3-methylbutoxy]-3-methylbutyl]acetamide
CID 122606411
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
2,2,4,4-tetramethyl-5-[[3-methyl-3-[3-methyl-3-(methylamino)butoxy]butyl]amino]-5-oxopentanoic acid
CID 134502976
1-N,1-N,1-N-tris(2-aminoethyl)ethane-1,1,1-tricarboxamide
CID 15388023
N-[2-[2-methyl-4-[2-methyl-4-(methylamino)butan-2-yl]oxybutan-2-yl]oxyethyl]-5-oxohexanamide
CID 144763173

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-2,2-dimethyl-4-[2-methyl-4-(methylamino)butan-2-yl]oxybutanamide?
The IUPAC name of N-(2-aminoethyl)-2,2-dimethyl-4-[2-methyl-4-(methylamino)butan-2-yl]oxybutanamide (CID 129027495) is N-(2-aminoethyl)-2,2-dimethyl-4-[2-methyl-4-(methylamino)butan-2-yl]oxybutanamide.
What is the SMILES notation for N-(2-aminoethyl)-2,2-dimethyl-4-[2-methyl-4-(methylamino)butan-2-yl]oxybutanamide?
The canonical SMILES for N-(2-aminoethyl)-2,2-dimethyl-4-[2-methyl-4-(methylamino)butan-2-yl]oxybutanamide is CNCCC(C)(C)OCCC(C)(C)C(=O)NCCN.
What is the InChIKey of N-(2-aminoethyl)-2,2-dimethyl-4-[2-methyl-4-(methylamino)butan-2-yl]oxybutanamide?
The InChIKey is DEWXYXLXDYZXGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31N3O2/c1-13(2,12(18)17-10-8-15)7-11-19-14(3,4)6-9-16-5/h16H,6-11,15H2,1-5H3,(H,17,18).
What are the key properties of N-(2-aminoethyl)-2,2-dimethyl-4-[2-methyl-4-(methylamino)butan-2-yl]oxybutanamide?
N-(2-aminoethyl)-2,2-dimethyl-4-[2-methyl-4-(methylamino)butan-2-yl]oxybutanamide has a molecular weight of 273.42 g/mol, XLogP of 0.88, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-2,2-dimethyl-4-[2-methyl-4-(methylamino)butan-2-yl]oxybutanamide is sourced from PubChem (CID 129027495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).