4-methyl-N-[3-[3-[2-[10-[methyl(propyl)amino]-5-oxodecoxy]ethoxy]propanoylamino]propyl]benzamide

C30H51N3O5 — CID 157125881

IUPAC4-methyl-N-[3-[3-[2-[10-[methyl(propyl)amino]-5-oxodecoxy]ethoxy]propanoylamino]propyl]benzamide
SMILESCCCN(C)CCCCCC(=O)CCCCOCCOCCC(=O)NCCCNC(=O)c1ccc(C)cc1
InChIInChI=1S/C30H51N3O5/c1-4-20-33(3)21-8-5-6-11-28(34)12-7-9-22-37-24-25-38-23-17-29(35)31-18-10-19-32-30(36)27-15-13-26(2)14-16-27/h13-16H,4-12,17-25H2,1-3H3,(H,31,35)(H,32,36)
InChIKeyGYBMMZDBSINIJL-UHFFFAOYSA-N
MW533.75 g/mol
LogP4.30
Rot. Bonds24

About 4-methyl-N-[3-[3-[2-[10-[methyl(propyl)amino]-5-oxodecoxy]ethoxy]propanoylamino]propyl]benzamide

4-methyl-N-[3-[3-[2-[10-[methyl(propyl)amino]-5-oxodecoxy]ethoxy]propanoylamino]propyl]benzamide (PubChem CID 157125881) has the molecular formula C30H51N3O5 and a molecular weight of 533.75 g/mol. Its IUPAC name is 4-methyl-N-[3-[3-[2-[10-[methyl(propyl)amino]-5-oxodecoxy]ethoxy]propanoylamino]propyl]benzamide.

Molecular Properties

Compound Name4-methyl-N-[3-[3-[2-[10-[methyl(propyl)amino]-5-oxodecoxy]ethoxy]propanoylamino]propyl]benzamide
PubChem CID157125881
Molecular FormulaC30H51N3O5
Molecular Weight533.75 g/mol
Exact Mass533.38
IUPAC Name4-methyl-N-[3-[3-[2-[10-[methyl(propyl)amino]-5-oxodecoxy]ethoxy]propanoylamino]propyl]benzamide
SMILESCCCN(C)CCCCCC(=O)CCCCOCCOCCC(=O)NCCCNC(=O)c1ccc(C)cc1
InChIInChI=1S/C30H51N3O5/c1-4-20-33(3)21-8-5-6-11-28(34)12-7-9-22-37-24-25-38-23-17-29(35)31-18-10-19-32-30(36)27-15-13-26(2)14-16-27/h13-16H,4-12,17-25H2,1-3H3,(H,31,35)(H,32,36)
InChIKeyGYBMMZDBSINIJL-UHFFFAOYSA-N
XLogP4.30
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds24
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500533.75
LogP ≤ 54.30
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

N-[2-[8-[5-[[10-[[4-[5-[acetyl(hydroxy)amino]pentylamino]-4-oxobutyl]-hydroxyamino]-4-oxodecanoyl]-hydroxyamino]pentylamino]-5,8-dioxooctoxy]ethyl]-4-methylbenzamide
CID 163630856
pentyl 3-[3-[(4-methylbenzoyl)amino]propanoylamino]propanoate
CID 91710666
tert-butyl-[6-[[5-[[1-[3-[3-[(4-methylbenzoyl)amino]propylamino]-3-oxopropoxy]-2-[[3-[3-[(4-methylbenzoyl)amino]propylamino]-3-oxopropoxy]methyl]-3-[9-(4-methylphenyl)-3,9-dioxononoxy]propan-2-yl]amino]-5-oxopentanoyl]amino]hexoxy]phosphinic acid
CID 157443109
N-[4-(4-methylphenyl)-4-oxobutyl]-2-[2-(4-oxoheptoxy)ethoxy]acetamide
CID 58427304
N-[5-(diethylamino)pentyl]-4-methylbenzamide
CID 110440389
4-methyl-N-[5-(2-methylbutoxy)pentyl]benzamide
CID 58301485
7-[(4-methylbenzoyl)amino]heptanoic acid
CID 24695278
tert-butyl N-[3-[3-[(4-methylbenzoyl)amino]propylamino]-3-oxopropyl]carbamate
CID 108921542
N-[2-(5-chloropentanoylamino)ethyl]-4-methylbenzamide
CID 60966598
N-[3-(dimethylamino)propyl]-4-(4-methylphenyl)benzamide
CID 162362191
4-methyl-N-(3-propan-2-yloxypropyl)benzamide
CID 58973544
N-[3-[butyl(methyl)amino]propyl]-6-methylnaphthalene-2-carboxamide
CID 142825847

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[3-[3-[2-[10-[methyl(propyl)amino]-5-oxodecoxy]ethoxy]propanoylamino]propyl]benzamide?
The IUPAC name of 4-methyl-N-[3-[3-[2-[10-[methyl(propyl)amino]-5-oxodecoxy]ethoxy]propanoylamino]propyl]benzamide (CID 157125881) is 4-methyl-N-[3-[3-[2-[10-[methyl(propyl)amino]-5-oxodecoxy]ethoxy]propanoylamino]propyl]benzamide.
What is the SMILES notation for 4-methyl-N-[3-[3-[2-[10-[methyl(propyl)amino]-5-oxodecoxy]ethoxy]propanoylamino]propyl]benzamide?
The canonical SMILES for 4-methyl-N-[3-[3-[2-[10-[methyl(propyl)amino]-5-oxodecoxy]ethoxy]propanoylamino]propyl]benzamide is CCCN(C)CCCCCC(=O)CCCCOCCOCCC(=O)NCCCNC(=O)c1ccc(C)cc1.
What is the InChIKey of 4-methyl-N-[3-[3-[2-[10-[methyl(propyl)amino]-5-oxodecoxy]ethoxy]propanoylamino]propyl]benzamide?
The InChIKey is GYBMMZDBSINIJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H51N3O5/c1-4-20-33(3)21-8-5-6-11-28(34)12-7-9-22-37-24-25-38-23-17-29(35)31-18-10-19-32-30(36)27-15-13-26(2)14-16-27/h13-16H,4-12,17-25H2,1-3H3,(H,31,35)(H,32,36).
What are the key properties of 4-methyl-N-[3-[3-[2-[10-[methyl(propyl)amino]-5-oxodecoxy]ethoxy]propanoylamino]propyl]benzamide?
4-methyl-N-[3-[3-[2-[10-[methyl(propyl)amino]-5-oxodecoxy]ethoxy]propanoylamino]propyl]benzamide has a molecular weight of 533.75 g/mol, XLogP of 4.30, 24 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[3-[3-[2-[10-[methyl(propyl)amino]-5-oxodecoxy]ethoxy]propanoylamino]propyl]benzamide is sourced from PubChem (CID 157125881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).