5-methyl-N-[2-(3-methyl-2-oxobutoxy)ethyl]hexanamide

C14H27NO3 — CID 170583801

IUPAC5-methyl-N-[2-(3-methyl-2-oxobutoxy)ethyl]hexanamide
SMILESCC(C)CCCC(=O)NCCOCC(=O)C(C)C
InChIInChI=1S/C14H27NO3/c1-11(2)6-5-7-14(17)15-8-9-18-10-13(16)12(3)4/h11-12H,5-10H2,1-4H3,(H,15,17)
InChIKeySLIVCZGZDUJSMG-UHFFFAOYSA-N
MW257.37 g/mol
LogP2.17
Rot. Bonds10

About 5-methyl-N-[2-(3-methyl-2-oxobutoxy)ethyl]hexanamide

5-methyl-N-[2-(3-methyl-2-oxobutoxy)ethyl]hexanamide (PubChem CID 170583801) has the molecular formula C14H27NO3 and a molecular weight of 257.37 g/mol. Its IUPAC name is 5-methyl-N-[2-(3-methyl-2-oxobutoxy)ethyl]hexanamide.

Molecular Properties

Compound Name5-methyl-N-[2-(3-methyl-2-oxobutoxy)ethyl]hexanamide
PubChem CID170583801
Molecular FormulaC14H27NO3
Molecular Weight257.37 g/mol
Exact Mass257.20
IUPAC Name5-methyl-N-[2-(3-methyl-2-oxobutoxy)ethyl]hexanamide
SMILESCC(C)CCCC(=O)NCCOCC(=O)C(C)C
InChIInChI=1S/C14H27NO3/c1-11(2)6-5-7-14(17)15-8-9-18-10-13(16)12(3)4/h11-12H,5-10H2,1-4H3,(H,15,17)
InChIKeySLIVCZGZDUJSMG-UHFFFAOYSA-N
XLogP2.17
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.37
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(methylamino)-N-[2-[2-[2-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethyl]butanamide
CID 137432077
6-methyl-N-[2-[2-[2-[2-(4-methyl-3-oxopentoxy)ethoxy]ethoxy]ethoxy]ethyl]heptanamide
CID 168756309
N-[2-[2-[5-[2-(3-methyl-2-oxobutoxy)ethoxy]-2-oxopentoxy]ethoxy]ethyl]-2-[2-(4-methylpentoxy)ethoxy]acetamide
CID 167615688
N-[2-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethoxy]ethyl]-9-propan-2-yloxynonanamide
CID 155739597
3-(2-methoxyethoxy)-N-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethyl]propanamide
CID 169159557
6-methyl-N-[2-[2-[2-[2-[2-[2-[3-(3-methylbutylamino)-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-5-oxoheptanamide
CID 176717444
3-(2-hydroxyethoxy)-N-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethyl]propanamide;vanadium
CID 177358681
3-(2-ethoxyethoxy)-N-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethyl]propanamide
CID 169159624
N-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethyl]-6-oxo-9-(propan-2-ylamino)nonanamide
CID 170116965
5-hydroxy-N-[2-(3-methylbutoxy)ethyl]pentanamide
CID 79209495
9-hydroxy-N-[2-[2-(4-methylpentoxy)ethoxy]ethyl]nonanamide
CID 155740636
3-[[2-(2-ethoxyethoxy)acetyl]amino]-N-[2-(3-methyl-2-oxobutoxy)ethyl]propanamide
CID 170223089

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[2-(3-methyl-2-oxobutoxy)ethyl]hexanamide?
The IUPAC name of 5-methyl-N-[2-(3-methyl-2-oxobutoxy)ethyl]hexanamide (CID 170583801) is 5-methyl-N-[2-(3-methyl-2-oxobutoxy)ethyl]hexanamide.
What is the SMILES notation for 5-methyl-N-[2-(3-methyl-2-oxobutoxy)ethyl]hexanamide?
The canonical SMILES for 5-methyl-N-[2-(3-methyl-2-oxobutoxy)ethyl]hexanamide is CC(C)CCCC(=O)NCCOCC(=O)C(C)C.
What is the InChIKey of 5-methyl-N-[2-(3-methyl-2-oxobutoxy)ethyl]hexanamide?
The InChIKey is SLIVCZGZDUJSMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO3/c1-11(2)6-5-7-14(17)15-8-9-18-10-13(16)12(3)4/h11-12H,5-10H2,1-4H3,(H,15,17).
What are the key properties of 5-methyl-N-[2-(3-methyl-2-oxobutoxy)ethyl]hexanamide?
5-methyl-N-[2-(3-methyl-2-oxobutoxy)ethyl]hexanamide has a molecular weight of 257.37 g/mol, XLogP of 2.17, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[2-(3-methyl-2-oxobutoxy)ethyl]hexanamide is sourced from PubChem (CID 170583801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).