4,4-dimethyl-5-oxo-N-propylhexanamide

C11H21NO2 — CID 88908325

IUPAC4,4-dimethyl-5-oxo-N-propylhexanamide
SMILESCCCNC(=O)CCC(C)(C)C(C)=O
InChIInChI=1S/C11H21NO2/c1-5-8-12-10(14)6-7-11(3,4)9(2)13/h5-8H2,1-4H3,(H,12,14)
InChIKeyKRAZGWDGJZYGSN-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.91
Rot. Bonds6

About 4,4-dimethyl-5-oxo-N-propylhexanamide

4,4-dimethyl-5-oxo-N-propylhexanamide (PubChem CID 88908325) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 4,4-dimethyl-5-oxo-N-propylhexanamide.

Molecular Properties

Compound Name4,4-dimethyl-5-oxo-N-propylhexanamide
PubChem CID88908325
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name4,4-dimethyl-5-oxo-N-propylhexanamide
SMILESCCCNC(=O)CCC(C)(C)C(C)=O
InChIInChI=1S/C11H21NO2/c1-5-8-12-10(14)6-7-11(3,4)9(2)13/h5-8H2,1-4H3,(H,12,14)
InChIKeyKRAZGWDGJZYGSN-UHFFFAOYSA-N
XLogP1.91
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-N-propylpropanamide
CID 12680973
N-ethyl-4,4-dimethyl-5-oxoheptanamide
CID 123155383
4-butoxy-4-methyl-N-propylpentanamide
CID 156884877
N,N'-dipropyldecanediamide
CID 102239298
N-(3,3-dimethylbutyl)butanamide
CID 115580246
2,2-dimethyl-3-[[3-oxo-3-(propylamino)propyl]amino]propanoic acid
CID 79624064
12-oxo-N-propyltridecanamide
CID 135223938
4-(ethylamino)-N-propylbutanamide
CID 168958611
4-acetamido-N-[4-oxo-4-[[4-oxo-4-[[4-oxo-4-(propylamino)butyl]amino]butyl]amino]butyl]butanamide
CID 71430120
N'-(2-amino-2-methylpropyl)-N-propylpentanediamide
CID 119630026
3-amino-3-methyl-N-[3-oxo-3-(propylamino)propyl]butanamide
CID 64678840
N'-(2-amino-2-methylpropyl)-N-propylpentanediamide;hydrochloride
CID 119630025

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-5-oxo-N-propylhexanamide?
The IUPAC name of 4,4-dimethyl-5-oxo-N-propylhexanamide (CID 88908325) is 4,4-dimethyl-5-oxo-N-propylhexanamide.
What is the SMILES notation for 4,4-dimethyl-5-oxo-N-propylhexanamide?
The canonical SMILES for 4,4-dimethyl-5-oxo-N-propylhexanamide is CCCNC(=O)CCC(C)(C)C(C)=O.
What is the InChIKey of 4,4-dimethyl-5-oxo-N-propylhexanamide?
The InChIKey is KRAZGWDGJZYGSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-5-8-12-10(14)6-7-11(3,4)9(2)13/h5-8H2,1-4H3,(H,12,14).
What are the key properties of 4,4-dimethyl-5-oxo-N-propylhexanamide?
4,4-dimethyl-5-oxo-N-propylhexanamide has a molecular weight of 199.29 g/mol, XLogP of 1.91, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-5-oxo-N-propylhexanamide is sourced from PubChem (CID 88908325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).