2-[2-[heptyl(methyl)amino]-2-oxoethoxy]-N-[4-[[2-[2-[heptyl(methyl)amino]-2-oxoethoxy]acetyl]amino]butyl]acetamide

C28H54N4O6 — CID 546525

IUPAC2-[2-[heptyl(methyl)amino]-2-oxoethoxy]-N-[4-[[2-[2-[heptyl(methyl)amino]-2-oxoethoxy]acetyl]amino]butyl]acetamide
SMILESCCCCCCCN(C)C(=O)COCC(=O)NCCCCNC(=O)COCC(=O)N(C)CCCCCCC
InChIInChI=1S/C28H54N4O6/c1-5-7-9-11-15-19-31(3)27(35)23-37-21-25(33)29-17-13-14-18-30-26(34)22-38-24-28(36)32(4)20-16-12-10-8-6-2/h5-24H2,1-4H3,(H,29,33)(H,30,34)
InChIKeyJVDPVTXIHZLSCP-UHFFFAOYSA-N
MW542.76 g/mol
LogP2.89
Rot. Bonds25

About 2-[2-[heptyl(methyl)amino]-2-oxoethoxy]-N-[4-[[2-[2-[heptyl(methyl)amino]-2-oxoethoxy]acetyl]amino]butyl]acetamide

2-[2-[heptyl(methyl)amino]-2-oxoethoxy]-N-[4-[[2-[2-[heptyl(methyl)amino]-2-oxoethoxy]acetyl]amino]butyl]acetamide (PubChem CID 546525) has the molecular formula C28H54N4O6 and a molecular weight of 542.76 g/mol. Its IUPAC name is 2-[2-[heptyl(methyl)amino]-2-oxoethoxy]-N-[4-[[2-[2-[heptyl(methyl)amino]-2-oxoethoxy]acetyl]amino]butyl]acetamide.

Molecular Properties

Compound Name2-[2-[heptyl(methyl)amino]-2-oxoethoxy]-N-[4-[[2-[2-[heptyl(methyl)amino]-2-oxoethoxy]acetyl]amino]butyl]acetamide
PubChem CID546525
Molecular FormulaC28H54N4O6
Molecular Weight542.76 g/mol
Exact Mass542.40
IUPAC Name2-[2-[heptyl(methyl)amino]-2-oxoethoxy]-N-[4-[[2-[2-[heptyl(methyl)amino]-2-oxoethoxy]acetyl]amino]butyl]acetamide
SMILESCCCCCCCN(C)C(=O)COCC(=O)NCCCCNC(=O)COCC(=O)N(C)CCCCCCC
InChIInChI=1S/C28H54N4O6/c1-5-7-9-11-15-19-31(3)27(35)23-37-21-25(33)29-17-13-14-18-30-26(34)22-38-24-28(36)32(4)20-16-12-10-8-6-2/h5-24H2,1-4H3,(H,29,33)(H,30,34)
InChIKeyJVDPVTXIHZLSCP-UHFFFAOYSA-N
XLogP2.89
TPSA117.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds25
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500542.76
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(dimethylamino)ethoxy]-N-hexylacetamide
CID 170742428
2-[2-[methyl(pentyl)amino]-2-oxoethoxy]acetic acid
CID 61328408
2-[2-[ethyl(methyl)amino]ethoxy]-N-hexylacetamide
CID 170742438
2-[2-(dicyclohexylamino)-2-oxoethoxy]-N-octacosylacetamide
CID 162714855
N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(butylamino)-2-oxoethoxy]ethoxy]ethylamino]ethoxy]ethoxy]ethyl-methylamino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethyl]propanamide
CID 123650332
2-(hydroxymethoxymethoxymethoxy)-N-methyl-N-octadecylacetamide
CID 175684944
N,N'-dibutyl-N'-methylpropanediamide
CID 108941430
2-methoxy-N-nonylacetamide
CID 86922058
N-[6-[acetyl(methyl)amino]hexyl]-N-methyl-6-(pentanoylamino)hexanamide
CID 169077270
2-[(1S,3R)-3-methylcyclohexyl]oxy-N-[4-[methyl-[2-[(1S,3R)-3-methylcyclohexyl]oxyacetyl]amino]butyl]acetamide
CID 124856388
N-heptyl-2-[3-[2-[heptyl(methyl)amino]-2-oxoethoxy]butan-2-yloxy]-N-methylacetamide
CID 604826
N-[4-(dimethylamino)butyl]docosanamide
CID 87265167

Frequently Asked Questions

What is the IUPAC name of 2-[2-[heptyl(methyl)amino]-2-oxoethoxy]-N-[4-[[2-[2-[heptyl(methyl)amino]-2-oxoethoxy]acetyl]amino]butyl]acetamide?
The IUPAC name of 2-[2-[heptyl(methyl)amino]-2-oxoethoxy]-N-[4-[[2-[2-[heptyl(methyl)amino]-2-oxoethoxy]acetyl]amino]butyl]acetamide (CID 546525) is 2-[2-[heptyl(methyl)amino]-2-oxoethoxy]-N-[4-[[2-[2-[heptyl(methyl)amino]-2-oxoethoxy]acetyl]amino]butyl]acetamide.
What is the SMILES notation for 2-[2-[heptyl(methyl)amino]-2-oxoethoxy]-N-[4-[[2-[2-[heptyl(methyl)amino]-2-oxoethoxy]acetyl]amino]butyl]acetamide?
The canonical SMILES for 2-[2-[heptyl(methyl)amino]-2-oxoethoxy]-N-[4-[[2-[2-[heptyl(methyl)amino]-2-oxoethoxy]acetyl]amino]butyl]acetamide is CCCCCCCN(C)C(=O)COCC(=O)NCCCCNC(=O)COCC(=O)N(C)CCCCCCC.
What is the InChIKey of 2-[2-[heptyl(methyl)amino]-2-oxoethoxy]-N-[4-[[2-[2-[heptyl(methyl)amino]-2-oxoethoxy]acetyl]amino]butyl]acetamide?
The InChIKey is JVDPVTXIHZLSCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H54N4O6/c1-5-7-9-11-15-19-31(3)27(35)23-37-21-25(33)29-17-13-14-18-30-26(34)22-38-24-28(36)32(4)20-16-12-10-8-6-2/h5-24H2,1-4H3,(H,29,33)(H,30,34).
What are the key properties of 2-[2-[heptyl(methyl)amino]-2-oxoethoxy]-N-[4-[[2-[2-[heptyl(methyl)amino]-2-oxoethoxy]acetyl]amino]butyl]acetamide?
2-[2-[heptyl(methyl)amino]-2-oxoethoxy]-N-[4-[[2-[2-[heptyl(methyl)amino]-2-oxoethoxy]acetyl]amino]butyl]acetamide has a molecular weight of 542.76 g/mol, XLogP of 2.89, 25 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[heptyl(methyl)amino]-2-oxoethoxy]-N-[4-[[2-[2-[heptyl(methyl)amino]-2-oxoethoxy]acetyl]amino]butyl]acetamide is sourced from PubChem (CID 546525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).