3-oxo-N-propyl-N-(2,2,3-trimethylbutyl)propanamide

C13H25NO2 — CID 168926967

IUPAC3-oxo-N-propyl-N-(2,2,3-trimethylbutyl)propanamide
SMILESCCCN(CC(C)(C)C(C)C)C(=O)CC=O
InChIInChI=1S/C13H25NO2/c1-6-8-14(12(16)7-9-15)10-13(4,5)11(2)3/h9,11H,6-8,10H2,1-5H3
InChIKeyWRBCUESFADNONJ-UHFFFAOYSA-N
MW227.35 g/mol
LogP2.50
Rot. Bonds7

About 3-oxo-N-propyl-N-(2,2,3-trimethylbutyl)propanamide

3-oxo-N-propyl-N-(2,2,3-trimethylbutyl)propanamide (PubChem CID 168926967) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is 3-oxo-N-propyl-N-(2,2,3-trimethylbutyl)propanamide.

Molecular Properties

Compound Name3-oxo-N-propyl-N-(2,2,3-trimethylbutyl)propanamide
PubChem CID168926967
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Name3-oxo-N-propyl-N-(2,2,3-trimethylbutyl)propanamide
SMILESCCCN(CC(C)(C)C(C)C)C(=O)CC=O
InChIInChI=1S/C13H25NO2/c1-6-8-14(12(16)7-9-15)10-13(4,5)11(2)3/h9,11H,6-8,10H2,1-5H3
InChIKeyWRBCUESFADNONJ-UHFFFAOYSA-N
XLogP2.50
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,N-bis(2-methylpropyl)-3-oxopropanamide
CID 89208373
3,3-dimethyl-N-(2-methylpropyl)-N-propylbutanamide
CID 18736157
2-formamido-2-methyl-N,N-dipropylpropanamide
CID 88885839
2,2-dimethyl-N,N-dipropylpropanamide;methane
CID 157106915
3-amino-N,N-dipropylbutanamide
CID 60836307
N-(2,2-dimethylpent-4-enyl)-N-propylcarbamoyl chloride
CID 10059217
4-[[2-(dimethylamino)-2-oxoethyl]-propylamino]-2-methyl-4-oxo-2-propan-2-ylbutanoic acid
CID 61042046
(2R)-2-[2-(dipropylamino)-2-oxoethoxy]propanoic acid
CID 104875289
2,2-dimethyl-N'-propan-2-yl-N,N-dipropylpropanediamide
CID 108957255
4,5,5-trimethyl-3-oxohexanal
CID 151832903
(2S)-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonyl-propylamino]propanoic acid
CID 170277244
2-(cyclopentylamino)-N-propyl-N-(2,2,2-trifluoroethyl)acetamide
CID 60944875

Frequently Asked Questions

What is the IUPAC name of 3-oxo-N-propyl-N-(2,2,3-trimethylbutyl)propanamide?
The IUPAC name of 3-oxo-N-propyl-N-(2,2,3-trimethylbutyl)propanamide (CID 168926967) is 3-oxo-N-propyl-N-(2,2,3-trimethylbutyl)propanamide.
What is the SMILES notation for 3-oxo-N-propyl-N-(2,2,3-trimethylbutyl)propanamide?
The canonical SMILES for 3-oxo-N-propyl-N-(2,2,3-trimethylbutyl)propanamide is CCCN(CC(C)(C)C(C)C)C(=O)CC=O.
What is the InChIKey of 3-oxo-N-propyl-N-(2,2,3-trimethylbutyl)propanamide?
The InChIKey is WRBCUESFADNONJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-6-8-14(12(16)7-9-15)10-13(4,5)11(2)3/h9,11H,6-8,10H2,1-5H3.
What are the key properties of 3-oxo-N-propyl-N-(2,2,3-trimethylbutyl)propanamide?
3-oxo-N-propyl-N-(2,2,3-trimethylbutyl)propanamide has a molecular weight of 227.35 g/mol, XLogP of 2.50, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxo-N-propyl-N-(2,2,3-trimethylbutyl)propanamide is sourced from PubChem (CID 168926967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).