5,5-dimethyl-N-[2-oxo-2-(1H-pyrazol-4-ylamino)ethyl]hexanamide

C13H22N4O2 — CID 56825627

IUPAC5,5-dimethyl-N-[2-oxo-2-(1H-pyrazol-4-ylamino)ethyl]hexanamide
SMILESCC(C)(C)CCCC(=O)NCC(=O)Nc1cn[nH]c1
InChIInChI=1S/C13H22N4O2/c1-13(2,3)6-4-5-11(18)14-9-12(19)17-10-7-15-16-8-10/h7-8H,4-6,9H2,1-3H3,(H,14,18)(H,15,16)(H,17,19)
InChIKeyNLSWXZWJQXAKTN-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.68
Rot. Bonds6

About 5,5-dimethyl-N-[2-oxo-2-(1H-pyrazol-4-ylamino)ethyl]hexanamide

5,5-dimethyl-N-[2-oxo-2-(1H-pyrazol-4-ylamino)ethyl]hexanamide (PubChem CID 56825627) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 5,5-dimethyl-N-[2-oxo-2-(1H-pyrazol-4-ylamino)ethyl]hexanamide.

Molecular Properties

Compound Name5,5-dimethyl-N-[2-oxo-2-(1H-pyrazol-4-ylamino)ethyl]hexanamide
PubChem CID56825627
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC Name5,5-dimethyl-N-[2-oxo-2-(1H-pyrazol-4-ylamino)ethyl]hexanamide
SMILESCC(C)(C)CCCC(=O)NCC(=O)Nc1cn[nH]c1
InChIInChI=1S/C13H22N4O2/c1-13(2,3)6-4-5-11(18)14-9-12(19)17-10-7-15-16-8-10/h7-8H,4-6,9H2,1-3H3,(H,14,18)(H,15,16)(H,17,19)
InChIKeyNLSWXZWJQXAKTN-UHFFFAOYSA-N
XLogP1.68
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-N-[2-oxo-2-(1H-pyrazol-4-ylamino)ethyl]hexanamide?
The IUPAC name of 5,5-dimethyl-N-[2-oxo-2-(1H-pyrazol-4-ylamino)ethyl]hexanamide (CID 56825627) is 5,5-dimethyl-N-[2-oxo-2-(1H-pyrazol-4-ylamino)ethyl]hexanamide.
What is the SMILES notation for 5,5-dimethyl-N-[2-oxo-2-(1H-pyrazol-4-ylamino)ethyl]hexanamide?
The canonical SMILES for 5,5-dimethyl-N-[2-oxo-2-(1H-pyrazol-4-ylamino)ethyl]hexanamide is CC(C)(C)CCCC(=O)NCC(=O)Nc1cn[nH]c1.
What is the InChIKey of 5,5-dimethyl-N-[2-oxo-2-(1H-pyrazol-4-ylamino)ethyl]hexanamide?
The InChIKey is NLSWXZWJQXAKTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-13(2,3)6-4-5-11(18)14-9-12(19)17-10-7-15-16-8-10/h7-8H,4-6,9H2,1-3H3,(H,14,18)(H,15,16)(H,17,19).
What are the key properties of 5,5-dimethyl-N-[2-oxo-2-(1H-pyrazol-4-ylamino)ethyl]hexanamide?
5,5-dimethyl-N-[2-oxo-2-(1H-pyrazol-4-ylamino)ethyl]hexanamide has a molecular weight of 266.34 g/mol, XLogP of 1.68, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-N-[2-oxo-2-(1H-pyrazol-4-ylamino)ethyl]hexanamide is sourced from PubChem (CID 56825627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).