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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Related Compounds

N-[(2S)-1-oxobutan-2-yl]acetamide
CID 55299338
N-[1-(ethylamino)-2-oxoethyl]acetamide
CID 173197035
S-ethyl N-[(2S)-3,3-dimethyl-1-oxobutan-2-yl]carbamothioate
CID 59880553
ethyl N-(3,3-dimethyl-1-oxobutan-2-yl)carbamate
CID 91015345
2-ethyl-3,3-dimethylpentanal
CID 172617213
2,5,5-trimethyl-N-propylhept-2-en-4-amine
CID 105004983
[3-[[(2R)-3,3-dimethyl-1-oxobutan-2-yl]amino]-3-oxopropyl]carbamic acid
CID 87561975
2-acetamido-3,3-dimethylbutanoyl chloride
CID 130013927
N-[(2S,3S)-3-hydroxypentan-2-yl]acetamide
CID 55301756
(2S)-2-acetamido-2-methylbutanoic acid
CID 71355971
(4S)-4-acetamido-5-oxopentanoic acid
CID 57465512
N-[1-hydroxy-3-(2-methylbutan-2-yloxy)propan-2-yl]acetamide
CID 134215824

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).