N-[2-[3-(2-aminoethoxy)-3-methylbutoxy]-2-methylpropyl]-2-(2-nitroso-2-oxoethoxy)acetamide

C15H29N3O6 — CID 134259952

IUPACN-[2-[3-(2-aminoethoxy)-3-methylbutoxy]-2-methylpropyl]-2-(2-nitroso-2-oxoethoxy)acetamide
SMILESCC(C)(CCOC(C)(C)CNC(=O)COCC(=O)N=O)OCCN
InChIInChI=1S/C15H29N3O6/c1-14(2,24-8-6-16)5-7-23-15(3,4)11-17-12(19)9-22-10-13(20)18-21/h5-11,16H2,1-4H3,(H,17,19)
InChIKeyHAOYJSAYNCCCQN-UHFFFAOYSA-N
MW347.41 g/mol
LogP0.35
Rot. Bonds13

About N-[2-[3-(2-aminoethoxy)-3-methylbutoxy]-2-methylpropyl]-2-(2-nitroso-2-oxoethoxy)acetamide

N-[2-[3-(2-aminoethoxy)-3-methylbutoxy]-2-methylpropyl]-2-(2-nitroso-2-oxoethoxy)acetamide (PubChem CID 134259952) has the molecular formula C15H29N3O6 and a molecular weight of 347.41 g/mol. Its IUPAC name is N-[2-[3-(2-aminoethoxy)-3-methylbutoxy]-2-methylpropyl]-2-(2-nitroso-2-oxoethoxy)acetamide.

Molecular Properties

Compound NameN-[2-[3-(2-aminoethoxy)-3-methylbutoxy]-2-methylpropyl]-2-(2-nitroso-2-oxoethoxy)acetamide
PubChem CID134259952
Molecular FormulaC15H29N3O6
Molecular Weight347.41 g/mol
Exact Mass347.21
IUPAC NameN-[2-[3-(2-aminoethoxy)-3-methylbutoxy]-2-methylpropyl]-2-(2-nitroso-2-oxoethoxy)acetamide
SMILESCC(C)(CCOC(C)(C)CNC(=O)COCC(=O)N=O)OCCN
InChIInChI=1S/C15H29N3O6/c1-14(2,24-8-6-16)5-7-23-15(3,4)11-17-12(19)9-22-10-13(20)18-21/h5-11,16H2,1-4H3,(H,17,19)
InChIKeyHAOYJSAYNCCCQN-UHFFFAOYSA-N
XLogP0.35
TPSA129.31 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.41
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[2-[[2-[3-(2-aminoethoxy)-3-methylbutoxy]-2-methylpropyl]amino]-2-oxoethoxy]acetic acid
CID 89044576
2-[2-[[2-(3-amino-3-methylbutoxy)-2-methylpropyl]amino]-2-oxoethoxy]acetic acid
CID 176675274
N-[3-[3-(2-aminoethoxy)-3-methylbutoxy]-3-methylbutyl]acetamide
CID 122606411
2-[3-(2-aminoethoxy)-3-methylbutoxy]-2-methylpropan-1-ol
CID 142624921
[5-(2-aminoethoxy)-2,5-dimethylhexan-2-yl]carbamic acid
CID 175166936
N-[2-[3-(fluoromethoxy)-3-methylbutoxy]-2-methylpropyl]carbamoyl fluoride
CID 166716428
2-(3-amino-3-methyl-2-oxobutoxy)-N-[2-[2-methyl-4-[2-methyl-4-(propan-2-ylamino)butan-2-yl]oxybutan-2-yl]oxyethyl]acetamide
CID 143771811
N-[4-(4-amino-2-methylbutan-2-yl)oxy-2-methylbutan-2-yl]acetamide
CID 144960921
N'-[3-[4-(5-amino-2-methylpentan-2-yl)oxy-2-methylbutan-2-yl]oxypropyl]-N-(7-hydroxyheptyl)butanediamide
CID 170149149
S-[3-[[2-methyl-2-[3-methyl-3-(3-oxobutoxy)butoxy]propyl]amino]-3-oxopropyl] ethanethioate
CID 166977674
ethane;3-hydroxy-N-[2-methyl-2-[3-methyl-3-(3-oxobutoxy)butoxy]propyl]propanamide;2-(3-methylbutoxy)ethanol
CID 143506852
3-[3-(2-aminoethoxy)-3-methylbutoxy]-N,3-dimethylbutan-1-amine;propanal
CID 145317497

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(2-aminoethoxy)-3-methylbutoxy]-2-methylpropyl]-2-(2-nitroso-2-oxoethoxy)acetamide?
The IUPAC name of N-[2-[3-(2-aminoethoxy)-3-methylbutoxy]-2-methylpropyl]-2-(2-nitroso-2-oxoethoxy)acetamide (CID 134259952) is N-[2-[3-(2-aminoethoxy)-3-methylbutoxy]-2-methylpropyl]-2-(2-nitroso-2-oxoethoxy)acetamide.
What is the SMILES notation for N-[2-[3-(2-aminoethoxy)-3-methylbutoxy]-2-methylpropyl]-2-(2-nitroso-2-oxoethoxy)acetamide?
The canonical SMILES for N-[2-[3-(2-aminoethoxy)-3-methylbutoxy]-2-methylpropyl]-2-(2-nitroso-2-oxoethoxy)acetamide is CC(C)(CCOC(C)(C)CNC(=O)COCC(=O)N=O)OCCN.
What is the InChIKey of N-[2-[3-(2-aminoethoxy)-3-methylbutoxy]-2-methylpropyl]-2-(2-nitroso-2-oxoethoxy)acetamide?
The InChIKey is HAOYJSAYNCCCQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O6/c1-14(2,24-8-6-16)5-7-23-15(3,4)11-17-12(19)9-22-10-13(20)18-21/h5-11,16H2,1-4H3,(H,17,19).
What are the key properties of N-[2-[3-(2-aminoethoxy)-3-methylbutoxy]-2-methylpropyl]-2-(2-nitroso-2-oxoethoxy)acetamide?
N-[2-[3-(2-aminoethoxy)-3-methylbutoxy]-2-methylpropyl]-2-(2-nitroso-2-oxoethoxy)acetamide has a molecular weight of 347.41 g/mol, XLogP of 0.35, 13 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(2-aminoethoxy)-3-methylbutoxy]-2-methylpropyl]-2-(2-nitroso-2-oxoethoxy)acetamide is sourced from PubChem (CID 134259952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).