N,N,2,2,6-pentamethyl-4-oxoheptanamide

C12H23NO2 — CID 159930455

IUPACN,N,2,2,6-pentamethyl-4-oxoheptanamide
SMILESCC(C)CC(=O)CC(C)(C)C(=O)N(C)C
InChIInChI=1S/C12H23NO2/c1-9(2)7-10(14)8-12(3,4)11(15)13(5)6/h9H,7-8H2,1-6H3
InChIKeySBQKWFCKWQEVLQ-UHFFFAOYSA-N
MW213.32 g/mol
LogP2.11
Rot. Bonds5

About N,N,2,2,6-pentamethyl-4-oxoheptanamide

N,N,2,2,6-pentamethyl-4-oxoheptanamide (PubChem CID 159930455) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is N,N,2,2,6-pentamethyl-4-oxoheptanamide.

Molecular Properties

Compound NameN,N,2,2,6-pentamethyl-4-oxoheptanamide
PubChem CID159930455
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC NameN,N,2,2,6-pentamethyl-4-oxoheptanamide
SMILESCC(C)CC(=O)CC(C)(C)C(=O)N(C)C
InChIInChI=1S/C12H23NO2/c1-9(2)7-10(14)8-12(3,4)11(15)13(5)6/h9H,7-8H2,1-6H3
InChIKeySBQKWFCKWQEVLQ-UHFFFAOYSA-N
XLogP2.11
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N,2,2,6-pentamethyl-4-oxoheptanamide?
The IUPAC name of N,N,2,2,6-pentamethyl-4-oxoheptanamide (CID 159930455) is N,N,2,2,6-pentamethyl-4-oxoheptanamide.
What is the SMILES notation for N,N,2,2,6-pentamethyl-4-oxoheptanamide?
The canonical SMILES for N,N,2,2,6-pentamethyl-4-oxoheptanamide is CC(C)CC(=O)CC(C)(C)C(=O)N(C)C.
What is the InChIKey of N,N,2,2,6-pentamethyl-4-oxoheptanamide?
The InChIKey is SBQKWFCKWQEVLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-9(2)7-10(14)8-12(3,4)11(15)13(5)6/h9H,7-8H2,1-6H3.
What are the key properties of N,N,2,2,6-pentamethyl-4-oxoheptanamide?
N,N,2,2,6-pentamethyl-4-oxoheptanamide has a molecular weight of 213.32 g/mol, XLogP of 2.11, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,2,2,6-pentamethyl-4-oxoheptanamide is sourced from PubChem (CID 159930455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).