molecular hydrogen;4-oxo-N-(2-propan-2-yloxyethyl)hexanamide

C11H23NO3 — CID 167491249

IUPACmolecular hydrogen;4-oxo-N-(2-propan-2-yloxyethyl)hexanamide
SMILESCCC(=O)CCC(=O)NCCOC(C)C.[H][H]
InChIInChI=1S/C11H21NO3.H2/c1-4-10(13)5-6-11(14)12-7-8-15-9(2)3;/h9H,4-8H2,1-3H3,(H,12,14);1H
InChIKeyDNSONGIXRXFWBM-UHFFFAOYSA-N
MW217.31 g/mol
LogP1.53
Rot. Bonds8

About molecular hydrogen;4-oxo-N-(2-propan-2-yloxyethyl)hexanamide

molecular hydrogen;4-oxo-N-(2-propan-2-yloxyethyl)hexanamide (PubChem CID 167491249) has the molecular formula C11H23NO3 and a molecular weight of 217.31 g/mol. Its IUPAC name is molecular hydrogen;4-oxo-N-(2-propan-2-yloxyethyl)hexanamide.

Molecular Properties

Compound Namemolecular hydrogen;4-oxo-N-(2-propan-2-yloxyethyl)hexanamide
PubChem CID167491249
Molecular FormulaC11H23NO3
Molecular Weight217.31 g/mol
Exact Mass217.17
IUPAC Namemolecular hydrogen;4-oxo-N-(2-propan-2-yloxyethyl)hexanamide
SMILESCCC(=O)CCC(=O)NCCOC(C)C.[H][H]
InChIInChI=1S/C11H21NO3.H2/c1-4-10(13)5-6-11(14)12-7-8-15-9(2)3;/h9H,4-8H2,1-3H3,(H,12,14);1H
InChIKeyDNSONGIXRXFWBM-UHFFFAOYSA-N
XLogP1.53
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 51.53
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

3-[2-(2-ethoxyethoxy)ethoxy]-N-(2-propan-2-yloxyethyl)propanamide;molecular hydrogen
CID 156820526
molecular hydrogen;N-[2-oxo-2-[2-(2-oxobutoxy)ethylamino]ethyl]-3-(2-propan-2-yloxyethoxy)propanamide
CID 167464435
3-(propan-2-ylamino)-N-(2-propan-2-yloxyethyl)propanamide
CID 104761146
N-[2-(aminomethoxy)ethyl]-4-oxohexanamide
CID 163442733
4-oxo-N-[2-(2-propoxyethoxy)ethyl]hexanamide
CID 135249369
molecular hydrogen;4-propan-2-yloxy-N-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethyl]butanamide
CID 155739531
N-[2-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]ethyl]propanamide
CID 166555863
4-oxo-4-(2-propan-2-yloxyethylcarbamoylamino)butanoic acid
CID 104762323
N-heptyl-N'-(3-propan-2-yloxypropyl)butanediamide
CID 4554473
5-ethoxy-N-[2-(2-propan-2-yloxyethoxy)ethyl]pentanamide;molecular hydrogen
CID 177338018
6-methyl-4-oxo-N-(6-propan-2-yloxyhexyl)heptanamide
CID 163940607
5-methyl-4-oxo-N-[2-[2-(3-oxopentoxy)ethoxy]ethyl]hexanamide
CID 162740350

Frequently Asked Questions

What is the IUPAC name of molecular hydrogen;4-oxo-N-(2-propan-2-yloxyethyl)hexanamide?
The IUPAC name of molecular hydrogen;4-oxo-N-(2-propan-2-yloxyethyl)hexanamide (CID 167491249) is molecular hydrogen;4-oxo-N-(2-propan-2-yloxyethyl)hexanamide.
What is the SMILES notation for molecular hydrogen;4-oxo-N-(2-propan-2-yloxyethyl)hexanamide?
The canonical SMILES for molecular hydrogen;4-oxo-N-(2-propan-2-yloxyethyl)hexanamide is CCC(=O)CCC(=O)NCCOC(C)C.[H][H].
What is the InChIKey of molecular hydrogen;4-oxo-N-(2-propan-2-yloxyethyl)hexanamide?
The InChIKey is DNSONGIXRXFWBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3.H2/c1-4-10(13)5-6-11(14)12-7-8-15-9(2)3;/h9H,4-8H2,1-3H3,(H,12,14);1H.
What are the key properties of molecular hydrogen;4-oxo-N-(2-propan-2-yloxyethyl)hexanamide?
molecular hydrogen;4-oxo-N-(2-propan-2-yloxyethyl)hexanamide has a molecular weight of 217.31 g/mol, XLogP of 1.53, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for molecular hydrogen;4-oxo-N-(2-propan-2-yloxyethyl)hexanamide is sourced from PubChem (CID 167491249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).