2-amino-4-methyl-1-(1,4,7-trioxa-10-azacyclododec-10-yl)pentan-1-one

C14H28N2O4 — CID 2939235

IUPAC2-amino-4-methyl-1-(1,4,7-trioxa-10-azacyclododec-10-yl)pentan-1-one
SMILESCC(C)CC(N)C(=O)N1CCOCCOCCOCC1
InChIInChI=1S/C14H28N2O4/c1-12(2)11-13(15)14(17)16-3-5-18-7-9-20-10-8-19-6-4-16/h12-13H,3-11,15H2,1-2H3
InChIKeyUTWPBEBEZACJCY-UHFFFAOYSA-N
MW288.39 g/mol
LogP0.25
Rot. Bonds3

About 2-amino-4-methyl-1-(1,4,7-trioxa-10-azacyclododec-10-yl)pentan-1-one

2-amino-4-methyl-1-(1,4,7-trioxa-10-azacyclododec-10-yl)pentan-1-one (PubChem CID 2939235) has the molecular formula C14H28N2O4 and a molecular weight of 288.39 g/mol. Its IUPAC name is 2-amino-4-methyl-1-(1,4,7-trioxa-10-azacyclododec-10-yl)pentan-1-one.

Molecular Properties

Compound Name2-amino-4-methyl-1-(1,4,7-trioxa-10-azacyclododec-10-yl)pentan-1-one
PubChem CID2939235
Molecular FormulaC14H28N2O4
Molecular Weight288.39 g/mol
Exact Mass288.20
IUPAC Name2-amino-4-methyl-1-(1,4,7-trioxa-10-azacyclododec-10-yl)pentan-1-one
SMILESCC(C)CC(N)C(=O)N1CCOCCOCCOCC1
InChIInChI=1S/C14H28N2O4/c1-12(2)11-13(15)14(17)16-3-5-18-7-9-20-10-8-19-6-4-16/h12-13H,3-11,15H2,1-2H3
InChIKeyUTWPBEBEZACJCY-UHFFFAOYSA-N
XLogP0.25
TPSA74.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-methyl-1-(1,4,7-trioxa-10-azacyclododec-10-yl)pentan-1-one?
The IUPAC name of 2-amino-4-methyl-1-(1,4,7-trioxa-10-azacyclododec-10-yl)pentan-1-one (CID 2939235) is 2-amino-4-methyl-1-(1,4,7-trioxa-10-azacyclododec-10-yl)pentan-1-one.
What is the SMILES notation for 2-amino-4-methyl-1-(1,4,7-trioxa-10-azacyclododec-10-yl)pentan-1-one?
The canonical SMILES for 2-amino-4-methyl-1-(1,4,7-trioxa-10-azacyclododec-10-yl)pentan-1-one is CC(C)CC(N)C(=O)N1CCOCCOCCOCC1.
What is the InChIKey of 2-amino-4-methyl-1-(1,4,7-trioxa-10-azacyclododec-10-yl)pentan-1-one?
The InChIKey is UTWPBEBEZACJCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O4/c1-12(2)11-13(15)14(17)16-3-5-18-7-9-20-10-8-19-6-4-16/h12-13H,3-11,15H2,1-2H3.
What are the key properties of 2-amino-4-methyl-1-(1,4,7-trioxa-10-azacyclododec-10-yl)pentan-1-one?
2-amino-4-methyl-1-(1,4,7-trioxa-10-azacyclododec-10-yl)pentan-1-one has a molecular weight of 288.39 g/mol, XLogP of 0.25, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-methyl-1-(1,4,7-trioxa-10-azacyclododec-10-yl)pentan-1-one is sourced from PubChem (CID 2939235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).