N-(3,3-dimethyl-1-oxopentan-2-yl)acetamide

C9H17NO2 — CID 142109674

IUPACN-(3,3-dimethyl-1-oxopentan-2-yl)acetamide
SMILESCCC(C)(C)C(C=O)NC(C)=O
InChIInChI=1S/C9H17NO2/c1-5-9(3,4)8(6-11)10-7(2)12/h6,8H,5H2,1-4H3,(H,10,12)
InChIKeyCEDYJBHEOPVANJ-UHFFFAOYSA-N
MW171.24 g/mol
LogP1.13
Rot. Bonds4

About N-(3,3-dimethyl-1-oxopentan-2-yl)acetamide

N-(3,3-dimethyl-1-oxopentan-2-yl)acetamide (PubChem CID 142109674) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is N-(3,3-dimethyl-1-oxopentan-2-yl)acetamide.

Molecular Properties

Compound NameN-(3,3-dimethyl-1-oxopentan-2-yl)acetamide
PubChem CID142109674
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC NameN-(3,3-dimethyl-1-oxopentan-2-yl)acetamide
SMILESCCC(C)(C)C(C=O)NC(C)=O
InChIInChI=1S/C9H17NO2/c1-5-9(3,4)8(6-11)10-7(2)12/h6,8H,5H2,1-4H3,(H,10,12)
InChIKeyCEDYJBHEOPVANJ-UHFFFAOYSA-N
XLogP1.13
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-(3,3-dimethyl-1-oxopentan-2-yl)acetamide?
The IUPAC name of N-(3,3-dimethyl-1-oxopentan-2-yl)acetamide (CID 142109674) is N-(3,3-dimethyl-1-oxopentan-2-yl)acetamide.
What is the SMILES notation for N-(3,3-dimethyl-1-oxopentan-2-yl)acetamide?
The canonical SMILES for N-(3,3-dimethyl-1-oxopentan-2-yl)acetamide is CCC(C)(C)C(C=O)NC(C)=O.
What is the InChIKey of N-(3,3-dimethyl-1-oxopentan-2-yl)acetamide?
The InChIKey is CEDYJBHEOPVANJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-5-9(3,4)8(6-11)10-7(2)12/h6,8H,5H2,1-4H3,(H,10,12).
What are the key properties of N-(3,3-dimethyl-1-oxopentan-2-yl)acetamide?
N-(3,3-dimethyl-1-oxopentan-2-yl)acetamide has a molecular weight of 171.24 g/mol, XLogP of 1.13, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethyl-1-oxopentan-2-yl)acetamide is sourced from PubChem (CID 142109674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).