N-[3-[3-(2-aminoethoxy)-3-methylbutoxy]-3-methylbutyl]acetamide

C14H30N2O3 — CID 122606411

IUPACN-[3-[3-(2-aminoethoxy)-3-methylbutoxy]-3-methylbutyl]acetamide
SMILESCC(=O)NCCC(C)(C)OCCC(C)(C)OCCN
InChIInChI=1S/C14H30N2O3/c1-12(17)16-9-6-13(2,3)18-10-7-14(4,5)19-11-8-15/h6-11,15H2,1-5H3,(H,16,17)
InChIKeySXDAQPRJOUUSMK-UHFFFAOYSA-N
MW274.40 g/mol
LogP1.45
Rot. Bonds10

About N-[3-[3-(2-aminoethoxy)-3-methylbutoxy]-3-methylbutyl]acetamide

N-[3-[3-(2-aminoethoxy)-3-methylbutoxy]-3-methylbutyl]acetamide (PubChem CID 122606411) has the molecular formula C14H30N2O3 and a molecular weight of 274.40 g/mol. Its IUPAC name is N-[3-[3-(2-aminoethoxy)-3-methylbutoxy]-3-methylbutyl]acetamide.

Molecular Properties

Compound NameN-[3-[3-(2-aminoethoxy)-3-methylbutoxy]-3-methylbutyl]acetamide
PubChem CID122606411
Molecular FormulaC14H30N2O3
Molecular Weight274.40 g/mol
Exact Mass274.23
IUPAC NameN-[3-[3-(2-aminoethoxy)-3-methylbutoxy]-3-methylbutyl]acetamide
SMILESCC(=O)NCCC(C)(C)OCCC(C)(C)OCCN
InChIInChI=1S/C14H30N2O3/c1-12(17)16-9-6-13(2,3)18-10-7-14(4,5)19-11-8-15/h6-11,15H2,1-5H3,(H,16,17)
InChIKeySXDAQPRJOUUSMK-UHFFFAOYSA-N
XLogP1.45
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.40
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(3-hydroxy-3-methylbutoxy)-3-methylbutyl]acetamide
CID 142467765
methanamine;N-[3-methyl-3-(3-methylbutoxy)butyl]acetamide
CID 156868708
N-[4-(4-amino-2-methylbutan-2-yl)oxy-2-methylbutan-2-yl]acetamide
CID 144960921
2-[3-(2-aminoethoxy)-3-methylbutoxy]-2-methylpropan-1-ol
CID 142624921
3-[3-(2-aminoethoxy)-3-methylbutoxy]-N,3-dimethylbutan-1-amine;propanal
CID 145317497
N-[3-[2-methyl-4-[2-methyl-4-(prop-2-enoylamino)butan-2-yl]oxybutan-2-yl]oxypropyl]prop-2-enamide
CID 144596587
2-[2-[[2-[3-(2-aminoethoxy)-3-methylbutoxy]-2-methylpropyl]amino]-2-oxoethoxy]acetic acid
CID 89044576
N-(2-aminoethyl)-2,2-dimethyl-4-[2-methyl-4-(methylamino)butan-2-yl]oxybutanamide
CID 129027495
N-[3-(3-acetamido-3-methylbutoxy)-3-methylbutyl]-2-methylpropanamide;ethane
CID 166141093
[5-(2-aminoethoxy)-2,5-dimethylhexan-2-yl]carbamic acid
CID 175166936
2,2-dimethyl-4-[2-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]butan-2-yl]oxybutanoic acid
CID 123714443
4-[3-(3-aminopropoxy)-3-methylbutoxy]-4-methylpentan-1-amine
CID 88566862

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-(2-aminoethoxy)-3-methylbutoxy]-3-methylbutyl]acetamide?
The IUPAC name of N-[3-[3-(2-aminoethoxy)-3-methylbutoxy]-3-methylbutyl]acetamide (CID 122606411) is N-[3-[3-(2-aminoethoxy)-3-methylbutoxy]-3-methylbutyl]acetamide.
What is the SMILES notation for N-[3-[3-(2-aminoethoxy)-3-methylbutoxy]-3-methylbutyl]acetamide?
The canonical SMILES for N-[3-[3-(2-aminoethoxy)-3-methylbutoxy]-3-methylbutyl]acetamide is CC(=O)NCCC(C)(C)OCCC(C)(C)OCCN.
What is the InChIKey of N-[3-[3-(2-aminoethoxy)-3-methylbutoxy]-3-methylbutyl]acetamide?
The InChIKey is SXDAQPRJOUUSMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O3/c1-12(17)16-9-6-13(2,3)18-10-7-14(4,5)19-11-8-15/h6-11,15H2,1-5H3,(H,16,17).
What are the key properties of N-[3-[3-(2-aminoethoxy)-3-methylbutoxy]-3-methylbutyl]acetamide?
N-[3-[3-(2-aminoethoxy)-3-methylbutoxy]-3-methylbutyl]acetamide has a molecular weight of 274.40 g/mol, XLogP of 1.45, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-(2-aminoethoxy)-3-methylbutoxy]-3-methylbutyl]acetamide is sourced from PubChem (CID 122606411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).