N-[6-(2-oxoazepan-1-yl)heptan-2-yl]acetamide

C15H28N2O2 — CID 134507504

IUPACN-[6-(2-oxoazepan-1-yl)heptan-2-yl]acetamide
SMILESCC(=O)NC(C)CCCC(C)N1CCCCCC1=O
InChIInChI=1S/C15H28N2O2/c1-12(16-14(3)18)8-7-9-13(2)17-11-6-4-5-10-15(17)19/h12-13H,4-11H2,1-3H3,(H,16,18)
InChIKeyOIJQHWXKWWOCEM-UHFFFAOYSA-N
MW268.40 g/mol
LogP2.47
Rot. Bonds6

About N-[6-(2-oxoazepan-1-yl)heptan-2-yl]acetamide

N-[6-(2-oxoazepan-1-yl)heptan-2-yl]acetamide (PubChem CID 134507504) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is N-[6-(2-oxoazepan-1-yl)heptan-2-yl]acetamide.

Molecular Properties

Compound NameN-[6-(2-oxoazepan-1-yl)heptan-2-yl]acetamide
PubChem CID134507504
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC NameN-[6-(2-oxoazepan-1-yl)heptan-2-yl]acetamide
SMILESCC(=O)NC(C)CCCC(C)N1CCCCCC1=O
InChIInChI=1S/C15H28N2O2/c1-12(16-14(3)18)8-7-9-13(2)17-11-6-4-5-10-15(17)19/h12-13H,4-11H2,1-3H3,(H,16,18)
InChIKeyOIJQHWXKWWOCEM-UHFFFAOYSA-N
XLogP2.47
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[6-(2-oxoazepan-1-yl)heptan-2-yl]acetamide?
The IUPAC name of N-[6-(2-oxoazepan-1-yl)heptan-2-yl]acetamide (CID 134507504) is N-[6-(2-oxoazepan-1-yl)heptan-2-yl]acetamide.
What is the SMILES notation for N-[6-(2-oxoazepan-1-yl)heptan-2-yl]acetamide?
The canonical SMILES for N-[6-(2-oxoazepan-1-yl)heptan-2-yl]acetamide is CC(=O)NC(C)CCCC(C)N1CCCCCC1=O.
What is the InChIKey of N-[6-(2-oxoazepan-1-yl)heptan-2-yl]acetamide?
The InChIKey is OIJQHWXKWWOCEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-12(16-14(3)18)8-7-9-13(2)17-11-6-4-5-10-15(17)19/h12-13H,4-11H2,1-3H3,(H,16,18).
What are the key properties of N-[6-(2-oxoazepan-1-yl)heptan-2-yl]acetamide?
N-[6-(2-oxoazepan-1-yl)heptan-2-yl]acetamide has a molecular weight of 268.40 g/mol, XLogP of 2.47, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2-oxoazepan-1-yl)heptan-2-yl]acetamide is sourced from PubChem (CID 134507504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).