2-[[2-(2-propoxyethoxy)acetyl]amino]heptanamide

C14H28N2O4 — CID 147884881

IUPAC2-[[2-(2-propoxyethoxy)acetyl]amino]heptanamide
SMILESCCCCCC(NC(=O)COCCOCCC)C(N)=O
InChIInChI=1S/C14H28N2O4/c1-3-5-6-7-12(14(15)18)16-13(17)11-20-10-9-19-8-4-2/h12H,3-11H2,1-2H3,(H2,15,18)(H,16,17)
InChIKeyIBDHKLKDFHLWLH-UHFFFAOYSA-N
MW288.39 g/mol
LogP0.98
Rot. Bonds13

About 2-[[2-(2-propoxyethoxy)acetyl]amino]heptanamide

2-[[2-(2-propoxyethoxy)acetyl]amino]heptanamide (PubChem CID 147884881) has the molecular formula C14H28N2O4 and a molecular weight of 288.39 g/mol. Its IUPAC name is 2-[[2-(2-propoxyethoxy)acetyl]amino]heptanamide.

Molecular Properties

Compound Name2-[[2-(2-propoxyethoxy)acetyl]amino]heptanamide
PubChem CID147884881
Molecular FormulaC14H28N2O4
Molecular Weight288.39 g/mol
Exact Mass288.20
IUPAC Name2-[[2-(2-propoxyethoxy)acetyl]amino]heptanamide
SMILESCCCCCC(NC(=O)COCCOCCC)C(N)=O
InChIInChI=1S/C14H28N2O4/c1-3-5-6-7-12(14(15)18)16-13(17)11-20-10-9-19-8-4-2/h12H,3-11H2,1-2H3,(H2,15,18)(H,16,17)
InChIKeyIBDHKLKDFHLWLH-UHFFFAOYSA-N
XLogP0.98
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-[[2-(2-butoxyethoxy)acetyl]amino]-7-methyloctanamide
CID 153389526
N-[1-amino-1-oxo-6-[3-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]propanoylamino]hexan-2-yl]dodecanamide
CID 87060981
2-[[2-[2-[2-[[2-[2-(2-hydrazinylethoxy)ethoxy]acetyl]amino]ethoxy]ethoxy]acetyl]amino]heptanoic acid
CID 123976668
6-[(2-aminoacetyl)amino]-2-[[2-(2-propoxyethoxy)acetyl]amino]hexanoic acid
CID 139325563
5-[[2-[[2-[[6-amino-6-oxo-5-[(2-propoxyacetyl)amino]hexyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-(butanoylamino)-5-oxopentanoic acid
CID 170149544
(2S)-5-amino-5-oxo-2-[(2-propoxyacetyl)amino]pentanoic acid
CID 107937845
(2S)-6-[(2-bromoacetyl)amino]-2-[[2-[2-[2-[(2-propoxyacetyl)amino]ethoxy]ethoxy]acetyl]amino]hexanoic acid
CID 90261192
methyl 3-hydroxy-2-[(2-propoxyacetyl)amino]propanoate
CID 104701957
3-[(2-propoxyacetyl)amino]butanamide
CID 103711750
2-[2-[2-(2-pentoxyethoxy)ethoxy]ethoxy]acetamide
CID 171838427
N-[2-[2-[9-(2-aminoethylamino)-8-[[2-[2-[2-(dodecanoylamino)ethoxy]ethoxy]acetyl]amino]-2,9-dioxononoxy]ethoxy]ethyl]dodecanamide
CID 162073542
N-[(5S)-6-amino-5-[[2-[2-[5-(2-butoxyethoxy)-4-oxopentoxy]ethoxy]acetyl]amino]-6-oxohexyl]-4-(propylamino)benzamide
CID 159512413

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-propoxyethoxy)acetyl]amino]heptanamide?
The IUPAC name of 2-[[2-(2-propoxyethoxy)acetyl]amino]heptanamide (CID 147884881) is 2-[[2-(2-propoxyethoxy)acetyl]amino]heptanamide.
What is the SMILES notation for 2-[[2-(2-propoxyethoxy)acetyl]amino]heptanamide?
The canonical SMILES for 2-[[2-(2-propoxyethoxy)acetyl]amino]heptanamide is CCCCCC(NC(=O)COCCOCCC)C(N)=O.
What is the InChIKey of 2-[[2-(2-propoxyethoxy)acetyl]amino]heptanamide?
The InChIKey is IBDHKLKDFHLWLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O4/c1-3-5-6-7-12(14(15)18)16-13(17)11-20-10-9-19-8-4-2/h12H,3-11H2,1-2H3,(H2,15,18)(H,16,17).
What are the key properties of 2-[[2-(2-propoxyethoxy)acetyl]amino]heptanamide?
2-[[2-(2-propoxyethoxy)acetyl]amino]heptanamide has a molecular weight of 288.39 g/mol, XLogP of 0.98, 13 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-propoxyethoxy)acetyl]amino]heptanamide is sourced from PubChem (CID 147884881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).