N,2-dimethyl-4-(4-methyl-5-oxopentan-2-yl)oxypentanamide

C13H25NO3 — CID 88960378

IUPACN,2-dimethyl-4-(4-methyl-5-oxopentan-2-yl)oxypentanamide
SMILESCNC(=O)C(C)CC(C)OC(C)CC(C)C=O
InChIInChI=1S/C13H25NO3/c1-9(8-15)6-11(3)17-12(4)7-10(2)13(16)14-5/h8-12H,6-7H2,1-5H3,(H,14,16)
InChIKeyPXVPJZSWZYCZEV-UHFFFAOYSA-N
MW243.35 g/mol
LogP1.78
Rot. Bonds8

About N,2-dimethyl-4-(4-methyl-5-oxopentan-2-yl)oxypentanamide

N,2-dimethyl-4-(4-methyl-5-oxopentan-2-yl)oxypentanamide (PubChem CID 88960378) has the molecular formula C13H25NO3 and a molecular weight of 243.35 g/mol. Its IUPAC name is N,2-dimethyl-4-(4-methyl-5-oxopentan-2-yl)oxypentanamide.

Molecular Properties

Compound NameN,2-dimethyl-4-(4-methyl-5-oxopentan-2-yl)oxypentanamide
PubChem CID88960378
Molecular FormulaC13H25NO3
Molecular Weight243.35 g/mol
Exact Mass243.18
IUPAC NameN,2-dimethyl-4-(4-methyl-5-oxopentan-2-yl)oxypentanamide
SMILESCNC(=O)C(C)CC(C)OC(C)CC(C)C=O
InChIInChI=1S/C13H25NO3/c1-9(8-15)6-11(3)17-12(4)7-10(2)13(16)14-5/h8-12H,6-7H2,1-5H3,(H,14,16)
InChIKeyPXVPJZSWZYCZEV-UHFFFAOYSA-N
XLogP1.78
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-4-(4-methyl-5-oxopentan-2-yl)oxypentanamide?
The IUPAC name of N,2-dimethyl-4-(4-methyl-5-oxopentan-2-yl)oxypentanamide (CID 88960378) is N,2-dimethyl-4-(4-methyl-5-oxopentan-2-yl)oxypentanamide.
What is the SMILES notation for N,2-dimethyl-4-(4-methyl-5-oxopentan-2-yl)oxypentanamide?
The canonical SMILES for N,2-dimethyl-4-(4-methyl-5-oxopentan-2-yl)oxypentanamide is CNC(=O)C(C)CC(C)OC(C)CC(C)C=O.
What is the InChIKey of N,2-dimethyl-4-(4-methyl-5-oxopentan-2-yl)oxypentanamide?
The InChIKey is PXVPJZSWZYCZEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO3/c1-9(8-15)6-11(3)17-12(4)7-10(2)13(16)14-5/h8-12H,6-7H2,1-5H3,(H,14,16).
What are the key properties of N,2-dimethyl-4-(4-methyl-5-oxopentan-2-yl)oxypentanamide?
N,2-dimethyl-4-(4-methyl-5-oxopentan-2-yl)oxypentanamide has a molecular weight of 243.35 g/mol, XLogP of 1.78, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-4-(4-methyl-5-oxopentan-2-yl)oxypentanamide is sourced from PubChem (CID 88960378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).