N-ethyl-N,2,2,5,5-pentamethyl-4,6-dioxoheptanamide

C14H25NO3 — CID 58352659

IUPACN-ethyl-N,2,2,5,5-pentamethyl-4,6-dioxoheptanamide
SMILESCCN(C)C(=O)C(C)(C)CC(=O)C(C)(C)C(C)=O
InChIInChI=1S/C14H25NO3/c1-8-15(7)12(18)13(3,4)9-11(17)14(5,6)10(2)16/h8-9H2,1-7H3
InChIKeyANBGYMSPWVWOGQ-UHFFFAOYSA-N
MW255.36 g/mol
LogP2.07
Rot. Bonds6

About N-ethyl-N,2,2,5,5-pentamethyl-4,6-dioxoheptanamide

N-ethyl-N,2,2,5,5-pentamethyl-4,6-dioxoheptanamide (PubChem CID 58352659) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is N-ethyl-N,2,2,5,5-pentamethyl-4,6-dioxoheptanamide.

Molecular Properties

Compound NameN-ethyl-N,2,2,5,5-pentamethyl-4,6-dioxoheptanamide
PubChem CID58352659
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC NameN-ethyl-N,2,2,5,5-pentamethyl-4,6-dioxoheptanamide
SMILESCCN(C)C(=O)C(C)(C)CC(=O)C(C)(C)C(C)=O
InChIInChI=1S/C14H25NO3/c1-8-15(7)12(18)13(3,4)9-11(17)14(5,6)10(2)16/h8-9H2,1-7H3
InChIKeyANBGYMSPWVWOGQ-UHFFFAOYSA-N
XLogP2.07
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N,2,2,5,5-pentamethyl-4,6-dioxoheptanamide?
The IUPAC name of N-ethyl-N,2,2,5,5-pentamethyl-4,6-dioxoheptanamide (CID 58352659) is N-ethyl-N,2,2,5,5-pentamethyl-4,6-dioxoheptanamide.
What is the SMILES notation for N-ethyl-N,2,2,5,5-pentamethyl-4,6-dioxoheptanamide?
The canonical SMILES for N-ethyl-N,2,2,5,5-pentamethyl-4,6-dioxoheptanamide is CCN(C)C(=O)C(C)(C)CC(=O)C(C)(C)C(C)=O.
What is the InChIKey of N-ethyl-N,2,2,5,5-pentamethyl-4,6-dioxoheptanamide?
The InChIKey is ANBGYMSPWVWOGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO3/c1-8-15(7)12(18)13(3,4)9-11(17)14(5,6)10(2)16/h8-9H2,1-7H3.
What are the key properties of N-ethyl-N,2,2,5,5-pentamethyl-4,6-dioxoheptanamide?
N-ethyl-N,2,2,5,5-pentamethyl-4,6-dioxoheptanamide has a molecular weight of 255.36 g/mol, XLogP of 2.07, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N,2,2,5,5-pentamethyl-4,6-dioxoheptanamide is sourced from PubChem (CID 58352659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).