2,2-dimethyl-N-[5-(propanoylamino)hexan-2-yl]propanamide

C14H28N2O2 — CID 170029722

IUPAC2,2-dimethyl-N-[5-(propanoylamino)hexan-2-yl]propanamide
SMILESCCC(=O)NC(C)CCC(C)NC(=O)C(C)(C)C
InChIInChI=1S/C14H28N2O2/c1-7-12(17)15-10(2)8-9-11(3)16-13(18)14(4,5)6/h10-11H,7-9H2,1-6H3,(H,15,17)(H,16,18)
InChIKeyQJRMLTKAIFYMQY-UHFFFAOYSA-N
MW256.39 g/mol
LogP2.23
Rot. Bonds6

About 2,2-dimethyl-N-[5-(propanoylamino)hexan-2-yl]propanamide

2,2-dimethyl-N-[5-(propanoylamino)hexan-2-yl]propanamide (PubChem CID 170029722) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 2,2-dimethyl-N-[5-(propanoylamino)hexan-2-yl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[5-(propanoylamino)hexan-2-yl]propanamide
PubChem CID170029722
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Name2,2-dimethyl-N-[5-(propanoylamino)hexan-2-yl]propanamide
SMILESCCC(=O)NC(C)CCC(C)NC(=O)C(C)(C)C
InChIInChI=1S/C14H28N2O2/c1-7-12(17)15-10(2)8-9-11(3)16-13(18)14(4,5)6/h10-11H,7-9H2,1-6H3,(H,15,17)(H,16,18)
InChIKeyQJRMLTKAIFYMQY-UHFFFAOYSA-N
XLogP2.23
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[5-(propanoylamino)hexan-2-yl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[5-(propanoylamino)hexan-2-yl]propanamide (CID 170029722) is 2,2-dimethyl-N-[5-(propanoylamino)hexan-2-yl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[5-(propanoylamino)hexan-2-yl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[5-(propanoylamino)hexan-2-yl]propanamide is CCC(=O)NC(C)CCC(C)NC(=O)C(C)(C)C.
What is the InChIKey of 2,2-dimethyl-N-[5-(propanoylamino)hexan-2-yl]propanamide?
The InChIKey is QJRMLTKAIFYMQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-7-12(17)15-10(2)8-9-11(3)16-13(18)14(4,5)6/h10-11H,7-9H2,1-6H3,(H,15,17)(H,16,18).
What are the key properties of 2,2-dimethyl-N-[5-(propanoylamino)hexan-2-yl]propanamide?
2,2-dimethyl-N-[5-(propanoylamino)hexan-2-yl]propanamide has a molecular weight of 256.39 g/mol, XLogP of 2.23, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[5-(propanoylamino)hexan-2-yl]propanamide is sourced from PubChem (CID 170029722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).