ethane;molecular hydrogen;N-[2-(2-propoxyethoxy)ethyl]pentanamide

C14H33NO3 — CID 170639867

IUPACethane;molecular hydrogen;N-[2-(2-propoxyethoxy)ethyl]pentanamide
SMILESCC.CCCCC(=O)NCCOCCOCCC.[H][H]
InChIInChI=1S/C12H25NO3.C2H6.H2/c1-3-5-6-12(14)13-7-9-16-11-10-15-8-4-2;1-2;/h3-11H2,1-2H3,(H,13,14);1-2H3;1H
InChIKeyKYCRDFWNKDGSBZ-UHFFFAOYSA-N
MW263.42 g/mol
LogP3.01
Rot. Bonds11

About ethane;molecular hydrogen;N-[2-(2-propoxyethoxy)ethyl]pentanamide

ethane;molecular hydrogen;N-[2-(2-propoxyethoxy)ethyl]pentanamide (PubChem CID 170639867) has the molecular formula C14H33NO3 and a molecular weight of 263.42 g/mol. Its IUPAC name is ethane;molecular hydrogen;N-[2-(2-propoxyethoxy)ethyl]pentanamide.

Molecular Properties

Compound Nameethane;molecular hydrogen;N-[2-(2-propoxyethoxy)ethyl]pentanamide
PubChem CID170639867
Molecular FormulaC14H33NO3
Molecular Weight263.42 g/mol
Exact Mass263.25
IUPAC Nameethane;molecular hydrogen;N-[2-(2-propoxyethoxy)ethyl]pentanamide
SMILESCC.CCCCC(=O)NCCOCCOCCC.[H][H]
InChIInChI=1S/C12H25NO3.C2H6.H2/c1-3-5-6-12(14)13-7-9-16-11-10-15-8-4-2;1-2;/h3-11H2,1-2H3,(H,13,14);1-2H3;1H
InChIKeyKYCRDFWNKDGSBZ-UHFFFAOYSA-N
XLogP3.01
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.42
LogP ≤ 53.01
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

N-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-3-(2-propoxyethoxy)propanamide;molecular hydrogen
CID 176987409
N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pentanamide
CID 134259653
N-[2-[2-[2-[2-(propanoylamino)ethoxy]ethoxy]ethoxy]ethyl]pentanamide
CID 167513156
N-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]pentanamide
CID 54534992
N-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl]pentanamide
CID 175944386
N-[2-(2-propoxyethoxy)ethyl]butanamide
CID 88853938
N-methyl-N'-[2-(2-propoxyethoxy)ethyl]pentanediamide
CID 176584959
16-oxo-16-(2-propoxyethylamino)hexadecanoic acid
CID 122592174
4-amino-N-[2-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]butanamide
CID 145188206
N-[2-[2-[2-(ethylamino)-2-oxoethoxy]ethoxy]ethyl]octadecanamide
CID 89136762
N-butyl-2-[2-[2-[[2-(2-propoxyethoxy)acetyl]amino]ethoxy]ethoxy]acetamide
CID 89176591
molecular hydrogen;N-(2-propoxyethyl)propanamide
CID 170639851

Frequently Asked Questions

What is the IUPAC name of ethane;molecular hydrogen;N-[2-(2-propoxyethoxy)ethyl]pentanamide?
The IUPAC name of ethane;molecular hydrogen;N-[2-(2-propoxyethoxy)ethyl]pentanamide (CID 170639867) is ethane;molecular hydrogen;N-[2-(2-propoxyethoxy)ethyl]pentanamide.
What is the SMILES notation for ethane;molecular hydrogen;N-[2-(2-propoxyethoxy)ethyl]pentanamide?
The canonical SMILES for ethane;molecular hydrogen;N-[2-(2-propoxyethoxy)ethyl]pentanamide is CC.CCCCC(=O)NCCOCCOCCC.[H][H].
What is the InChIKey of ethane;molecular hydrogen;N-[2-(2-propoxyethoxy)ethyl]pentanamide?
The InChIKey is KYCRDFWNKDGSBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO3.C2H6.H2/c1-3-5-6-12(14)13-7-9-16-11-10-15-8-4-2;1-2;/h3-11H2,1-2H3,(H,13,14);1-2H3;1H.
What are the key properties of ethane;molecular hydrogen;N-[2-(2-propoxyethoxy)ethyl]pentanamide?
ethane;molecular hydrogen;N-[2-(2-propoxyethoxy)ethyl]pentanamide has a molecular weight of 263.42 g/mol, XLogP of 3.01, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;molecular hydrogen;N-[2-(2-propoxyethoxy)ethyl]pentanamide is sourced from PubChem (CID 170639867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).