5-ethyl-N,N,3,3,7-pentamethyl-6-oxooctanamide

C15H29NO2 — CID 167147257

IUPAC5-ethyl-N,N,3,3,7-pentamethyl-6-oxooctanamide
SMILESCCC(CC(C)(C)CC(=O)N(C)C)C(=O)C(C)C
InChIInChI=1S/C15H29NO2/c1-8-12(14(18)11(2)3)9-15(4,5)10-13(17)16(6)7/h11-12H,8-10H2,1-7H3
InChIKeyBJSYJGKJTBEGCN-UHFFFAOYSA-N
MW255.40 g/mol
LogP3.13
Rot. Bonds7

About 5-ethyl-N,N,3,3,7-pentamethyl-6-oxooctanamide

5-ethyl-N,N,3,3,7-pentamethyl-6-oxooctanamide (PubChem CID 167147257) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is 5-ethyl-N,N,3,3,7-pentamethyl-6-oxooctanamide.

Molecular Properties

Compound Name5-ethyl-N,N,3,3,7-pentamethyl-6-oxooctanamide
PubChem CID167147257
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC Name5-ethyl-N,N,3,3,7-pentamethyl-6-oxooctanamide
SMILESCCC(CC(C)(C)CC(=O)N(C)C)C(=O)C(C)C
InChIInChI=1S/C15H29NO2/c1-8-12(14(18)11(2)3)9-15(4,5)10-13(17)16(6)7/h11-12H,8-10H2,1-7H3
InChIKeyBJSYJGKJTBEGCN-UHFFFAOYSA-N
XLogP3.13
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N,N,3,3,7-pentamethyl-6-oxooctanamide?
The IUPAC name of 5-ethyl-N,N,3,3,7-pentamethyl-6-oxooctanamide (CID 167147257) is 5-ethyl-N,N,3,3,7-pentamethyl-6-oxooctanamide.
What is the SMILES notation for 5-ethyl-N,N,3,3,7-pentamethyl-6-oxooctanamide?
The canonical SMILES for 5-ethyl-N,N,3,3,7-pentamethyl-6-oxooctanamide is CCC(CC(C)(C)CC(=O)N(C)C)C(=O)C(C)C.
What is the InChIKey of 5-ethyl-N,N,3,3,7-pentamethyl-6-oxooctanamide?
The InChIKey is BJSYJGKJTBEGCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2/c1-8-12(14(18)11(2)3)9-15(4,5)10-13(17)16(6)7/h11-12H,8-10H2,1-7H3.
What are the key properties of 5-ethyl-N,N,3,3,7-pentamethyl-6-oxooctanamide?
5-ethyl-N,N,3,3,7-pentamethyl-6-oxooctanamide has a molecular weight of 255.40 g/mol, XLogP of 3.13, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N,N,3,3,7-pentamethyl-6-oxooctanamide is sourced from PubChem (CID 167147257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).