5-methyl-4-oxo-N-[2-[2-(3-oxopentoxy)ethoxy]ethyl]hexanamide

C16H29NO5 — CID 162740350

IUPAC5-methyl-4-oxo-N-[2-[2-(3-oxopentoxy)ethoxy]ethyl]hexanamide
SMILESCCC(=O)CCOCCOCCNC(=O)CCC(=O)C(C)C
InChIInChI=1S/C16H29NO5/c1-4-14(18)7-9-21-11-12-22-10-8-17-16(20)6-5-15(19)13(2)3/h13H,4-12H2,1-3H3,(H,17,20)
InChIKeyMAWOHOZEFNPPCG-UHFFFAOYSA-N
MW315.41 g/mol
LogP1.51
Rot. Bonds14

About 5-methyl-4-oxo-N-[2-[2-(3-oxopentoxy)ethoxy]ethyl]hexanamide

5-methyl-4-oxo-N-[2-[2-(3-oxopentoxy)ethoxy]ethyl]hexanamide (PubChem CID 162740350) has the molecular formula C16H29NO5 and a molecular weight of 315.41 g/mol. Its IUPAC name is 5-methyl-4-oxo-N-[2-[2-(3-oxopentoxy)ethoxy]ethyl]hexanamide.

Molecular Properties

Compound Name5-methyl-4-oxo-N-[2-[2-(3-oxopentoxy)ethoxy]ethyl]hexanamide
PubChem CID162740350
Molecular FormulaC16H29NO5
Molecular Weight315.41 g/mol
Exact Mass315.20
IUPAC Name5-methyl-4-oxo-N-[2-[2-(3-oxopentoxy)ethoxy]ethyl]hexanamide
SMILESCCC(=O)CCOCCOCCNC(=O)CCC(=O)C(C)C
InChIInChI=1S/C16H29NO5/c1-4-14(18)7-9-21-11-12-22-10-8-17-16(20)6-5-15(19)13(2)3/h13H,4-12H2,1-3H3,(H,17,20)
InChIKeyMAWOHOZEFNPPCG-UHFFFAOYSA-N
XLogP1.51
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.41
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(methylamino)-N-[2-[2-[2-(3-oxopentoxy)ethoxy]ethoxy]ethyl]propanamide
CID 146602613
4-oxo-N-[2-(2-propoxyethoxy)ethyl]hexanamide
CID 135249369
3-[3-[2-(4-methyl-3-oxohexoxy)ethylamino]-3-oxopropoxy]-N-[2-(4-methyl-3-oxopentoxy)ethyl]propanamide
CID 138721605
3-(2-ethoxyethoxy)-N-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethyl]propanamide
CID 169159624
6-methyl-N-[2-[2-[2-[2-(4-methyl-3-oxopentoxy)ethoxy]ethoxy]ethoxy]ethyl]heptanamide
CID 168756309
N-[2-[2-(3-methylbutoxy)ethoxy]ethyl]-6-oxooctanamide
CID 162766798
2-methyl-N-[2-[2-[2-[2-(4-methyl-3-oxopentoxy)ethoxy]ethoxy]ethoxy]ethyl]butanamide
CID 176577667
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
(2S)-2-acetamido-5-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(4-methyl-3-oxopentoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-5-oxopentanoic acid
CID 157395276
3-(2-hydroxyethoxy)-N-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethyl]propanamide;vanadium
CID 177358681
N-[2-(aminomethoxy)ethyl]-4-oxohexanamide
CID 163442733

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-oxo-N-[2-[2-(3-oxopentoxy)ethoxy]ethyl]hexanamide?
The IUPAC name of 5-methyl-4-oxo-N-[2-[2-(3-oxopentoxy)ethoxy]ethyl]hexanamide (CID 162740350) is 5-methyl-4-oxo-N-[2-[2-(3-oxopentoxy)ethoxy]ethyl]hexanamide.
What is the SMILES notation for 5-methyl-4-oxo-N-[2-[2-(3-oxopentoxy)ethoxy]ethyl]hexanamide?
The canonical SMILES for 5-methyl-4-oxo-N-[2-[2-(3-oxopentoxy)ethoxy]ethyl]hexanamide is CCC(=O)CCOCCOCCNC(=O)CCC(=O)C(C)C.
What is the InChIKey of 5-methyl-4-oxo-N-[2-[2-(3-oxopentoxy)ethoxy]ethyl]hexanamide?
The InChIKey is MAWOHOZEFNPPCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO5/c1-4-14(18)7-9-21-11-12-22-10-8-17-16(20)6-5-15(19)13(2)3/h13H,4-12H2,1-3H3,(H,17,20).
What are the key properties of 5-methyl-4-oxo-N-[2-[2-(3-oxopentoxy)ethoxy]ethyl]hexanamide?
5-methyl-4-oxo-N-[2-[2-(3-oxopentoxy)ethoxy]ethyl]hexanamide has a molecular weight of 315.41 g/mol, XLogP of 1.51, 14 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-oxo-N-[2-[2-(3-oxopentoxy)ethoxy]ethyl]hexanamide is sourced from PubChem (CID 162740350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).