4-[[2-[2-(2-acetamidoethoxy)ethoxy]acetyl]amino]-N-butylbutanamide

C16H31N3O5 — CID 123251408

IUPAC4-[[2-[2-(2-acetamidoethoxy)ethoxy]acetyl]amino]-N-butylbutanamide
SMILESCCCCNC(=O)CCCNC(=O)COCCOCCNC(C)=O
InChIInChI=1S/C16H31N3O5/c1-3-4-7-18-15(21)6-5-8-19-16(22)13-24-12-11-23-10-9-17-14(2)20/h3-13H2,1-2H3,(H,17,20)(H,18,21)(H,19,22)
InChIKeyXXKXCWBMMKGCCR-UHFFFAOYSA-N
MW345.44 g/mol
LogP-0.03
Rot. Bonds15

About 4-[[2-[2-(2-acetamidoethoxy)ethoxy]acetyl]amino]-N-butylbutanamide

4-[[2-[2-(2-acetamidoethoxy)ethoxy]acetyl]amino]-N-butylbutanamide (PubChem CID 123251408) has the molecular formula C16H31N3O5 and a molecular weight of 345.44 g/mol. Its IUPAC name is 4-[[2-[2-(2-acetamidoethoxy)ethoxy]acetyl]amino]-N-butylbutanamide.

Molecular Properties

Compound Name4-[[2-[2-(2-acetamidoethoxy)ethoxy]acetyl]amino]-N-butylbutanamide
PubChem CID123251408
Molecular FormulaC16H31N3O5
Molecular Weight345.44 g/mol
Exact Mass345.23
IUPAC Name4-[[2-[2-(2-acetamidoethoxy)ethoxy]acetyl]amino]-N-butylbutanamide
SMILESCCCCNC(=O)CCCNC(=O)COCCOCCNC(C)=O
InChIInChI=1S/C16H31N3O5/c1-3-4-7-18-15(21)6-5-8-19-16(22)13-24-12-11-23-10-9-17-14(2)20/h3-13H2,1-2H3,(H,17,20)(H,18,21)(H,19,22)
InChIKeyXXKXCWBMMKGCCR-UHFFFAOYSA-N
XLogP-0.03
TPSA105.76 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds15
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 5-0.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[2-[2-[2-[2-[2-(butylamino)-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethyl]heptanamide
CID 89417865
N-[2-[2-[2-[2-[2-[2-(butylamino)-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethyl]butanamide
CID 89176712
N-butyl-2-[2-[2-[[2-(2-propoxyethoxy)acetyl]amino]ethoxy]ethoxy]acetamide
CID 89176591
N-[4-[2-[2-[2-[2-[2-[2-(3-hydroxypropylamino)-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-4-oxobutyl]octadecanamide
CID 166959227
2-[2-(2-butoxyethoxy)ethoxy]-N-butylacetamide
CID 155190113
N-[2-[2-[2-(ethylamino)-2-oxoethoxy]ethoxy]ethyl]octadecanamide
CID 89136762
N-[2-(2-butoxyethoxy)ethyl]acetamide;ethane
CID 163393772
N-[2-[2-[2-[2-[2-[2-[2-[2-(butylamino)-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxymethyl]propanamide
CID 137465988
18-[4-[2-[2-[2-[2-[2-[2-(butylamino)-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]butylamino]-18-oxooctadecanoic acid
CID 123545676
N-[3-[2-[2-(3-acetamidopropoxy)ethoxy]ethoxy]propyl]butanamide
CID 121313484
N-[2-[2-[2-oxo-2-[2-[2-[2-oxo-2-(pent-4-enylamino)ethoxy]ethoxy]ethylamino]ethoxy]ethoxy]ethyl]butanamide
CID 146625820
2-[[2-[2-[2-(hexadecanoylamino)ethoxy]ethoxy]acetyl]amino]acetic acid
CID 87275453

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[2-(2-acetamidoethoxy)ethoxy]acetyl]amino]-N-butylbutanamide?
The IUPAC name of 4-[[2-[2-(2-acetamidoethoxy)ethoxy]acetyl]amino]-N-butylbutanamide (CID 123251408) is 4-[[2-[2-(2-acetamidoethoxy)ethoxy]acetyl]amino]-N-butylbutanamide.
What is the SMILES notation for 4-[[2-[2-(2-acetamidoethoxy)ethoxy]acetyl]amino]-N-butylbutanamide?
The canonical SMILES for 4-[[2-[2-(2-acetamidoethoxy)ethoxy]acetyl]amino]-N-butylbutanamide is CCCCNC(=O)CCCNC(=O)COCCOCCNC(C)=O.
What is the InChIKey of 4-[[2-[2-(2-acetamidoethoxy)ethoxy]acetyl]amino]-N-butylbutanamide?
The InChIKey is XXKXCWBMMKGCCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O5/c1-3-4-7-18-15(21)6-5-8-19-16(22)13-24-12-11-23-10-9-17-14(2)20/h3-13H2,1-2H3,(H,17,20)(H,18,21)(H,19,22).
What are the key properties of 4-[[2-[2-(2-acetamidoethoxy)ethoxy]acetyl]amino]-N-butylbutanamide?
4-[[2-[2-(2-acetamidoethoxy)ethoxy]acetyl]amino]-N-butylbutanamide has a molecular weight of 345.44 g/mol, XLogP of -0.03, 15 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[2-(2-acetamidoethoxy)ethoxy]acetyl]amino]-N-butylbutanamide is sourced from PubChem (CID 123251408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).