N-ethyl-4,4-dimethyl-5-oxoheptanamide

C11H21NO2 — CID 123155383

IUPACN-ethyl-4,4-dimethyl-5-oxoheptanamide
SMILESCCNC(=O)CCC(C)(C)C(=O)CC
InChIInChI=1S/C11H21NO2/c1-5-9(13)11(3,4)8-7-10(14)12-6-2/h5-8H2,1-4H3,(H,12,14)
InChIKeyVWJJDWRLOKSGOH-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.91
Rot. Bonds6

About N-ethyl-4,4-dimethyl-5-oxoheptanamide

N-ethyl-4,4-dimethyl-5-oxoheptanamide (PubChem CID 123155383) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is N-ethyl-4,4-dimethyl-5-oxoheptanamide.

Molecular Properties

Compound NameN-ethyl-4,4-dimethyl-5-oxoheptanamide
PubChem CID123155383
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC NameN-ethyl-4,4-dimethyl-5-oxoheptanamide
SMILESCCNC(=O)CCC(C)(C)C(=O)CC
InChIInChI=1S/C11H21NO2/c1-5-9(13)11(3,4)8-7-10(14)12-6-2/h5-8H2,1-4H3,(H,12,14)
InChIKeyVWJJDWRLOKSGOH-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

N-ethyl-5,5-dimethylhexanamide
CID 121264886
N,N'-diethylnonanediamide
CID 89048639
4,4-dimethyl-5-oxo-N-propylhexanamide
CID 88908325
3-(3,3-difluorobutylsulfanyl)-N-ethylpropanamide
CID 145160117
2-amino-2-[3-(ethylamino)-3-oxopropyl]-3-oxooctanoic acid
CID 151236930
N-ethylhexadecanamide
CID 18377756
N-ethyltridecanamide
CID 23297417
N-ethylpropanamide tetrafluoroborate
CID 88753462
N,N'-diethylpropanediamide
CID 4600245
tert-butyl 4-(ethylamino)-4-oxobutanoate
CID 106706793
20-(ethylamino)-20-oxoicosanoic acid
CID 59533791
N'-ethylnonanediamide
CID 18377762

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4,4-dimethyl-5-oxoheptanamide?
The IUPAC name of N-ethyl-4,4-dimethyl-5-oxoheptanamide (CID 123155383) is N-ethyl-4,4-dimethyl-5-oxoheptanamide.
What is the SMILES notation for N-ethyl-4,4-dimethyl-5-oxoheptanamide?
The canonical SMILES for N-ethyl-4,4-dimethyl-5-oxoheptanamide is CCNC(=O)CCC(C)(C)C(=O)CC.
What is the InChIKey of N-ethyl-4,4-dimethyl-5-oxoheptanamide?
The InChIKey is VWJJDWRLOKSGOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-5-9(13)11(3,4)8-7-10(14)12-6-2/h5-8H2,1-4H3,(H,12,14).
What are the key properties of N-ethyl-4,4-dimethyl-5-oxoheptanamide?
N-ethyl-4,4-dimethyl-5-oxoheptanamide 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 N-ethyl-4,4-dimethyl-5-oxoheptanamide is sourced from PubChem (CID 123155383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).