N,N'-dibutyl-2-[[2-[2-(2-hydroxyethoxy)ethoxy]benzoyl]amino]pentanediamide

C24H39N3O6 — CID 177414776

IUPACN,N'-dibutyl-2-[[2-[2-(2-hydroxyethoxy)ethoxy]benzoyl]amino]pentanediamide
SMILESCCCCNC(=O)CCC(NC(=O)c1ccccc1OCCOCCO)C(=O)NCCCC
InChIInChI=1S/C24H39N3O6/c1-3-5-13-25-22(29)12-11-20(24(31)26-14-6-4-2)27-23(30)19-9-7-8-10-21(19)33-18-17-32-16-15-28/h7-10,20,28H,3-6,11-18H2,1-2H3,(H,25,29)(H,26,31)(H,27,30)
InChIKeyIWFIPEBTSIQZMI-UHFFFAOYSA-N
MW465.59 g/mol
LogP1.79
Rot. Bonds18

About N,N'-dibutyl-2-[[2-[2-(2-hydroxyethoxy)ethoxy]benzoyl]amino]pentanediamide

N,N'-dibutyl-2-[[2-[2-(2-hydroxyethoxy)ethoxy]benzoyl]amino]pentanediamide (PubChem CID 177414776) has the molecular formula C24H39N3O6 and a molecular weight of 465.59 g/mol. Its IUPAC name is N,N'-dibutyl-2-[[2-[2-(2-hydroxyethoxy)ethoxy]benzoyl]amino]pentanediamide.

Molecular Properties

Compound NameN,N'-dibutyl-2-[[2-[2-(2-hydroxyethoxy)ethoxy]benzoyl]amino]pentanediamide
PubChem CID177414776
Molecular FormulaC24H39N3O6
Molecular Weight465.59 g/mol
Exact Mass465.28
IUPAC NameN,N'-dibutyl-2-[[2-[2-(2-hydroxyethoxy)ethoxy]benzoyl]amino]pentanediamide
SMILESCCCCNC(=O)CCC(NC(=O)c1ccccc1OCCOCCO)C(=O)NCCCC
InChIInChI=1S/C24H39N3O6/c1-3-5-13-25-22(29)12-11-20(24(31)26-14-6-4-2)27-23(30)19-9-7-8-10-21(19)33-18-17-32-16-15-28/h7-10,20,28H,3-6,11-18H2,1-2H3,(H,25,29)(H,26,31)(H,27,30)
InChIKeyIWFIPEBTSIQZMI-UHFFFAOYSA-N
XLogP1.79
TPSA125.99 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds18
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.59
LogP ≤ 51.79
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N,N'-dihexyl-2-[[2-[2-(2-hydroxyethoxy)ethoxy]benzoyl]amino]pentanediamide
CID 177429891
(2S)-2-[[3,4-bis[2-(2-hydroxyethoxy)ethoxy]benzoyl]amino]-N,N'-dibutylbutanediamide
CID 177395306
2-butoxy-N-[8-[(2-butoxybenzoyl)amino]octyl]benzamide
CID 17233378
(2S)-2-[[2-(2-ethoxyethoxy)benzoyl]amino]propanoic acid
CID 119237944
2-ethoxy-N-[4-(3-hydroxypropylamino)-4-oxobutyl]benzamide
CID 78854842
(2R)-2-[[2-(2-ethoxyethoxy)benzoyl]amino]-4-methylpentanoic acid
CID 119364108
3-hydroxy-2-[(2-propoxybenzoyl)amino]propanoic acid
CID 3102729
2-ethoxy-N-[(2R)-pentan-2-yl]benzamide
CID 1234495
(2S)-N,N'-dibutyl-2-(octanoylamino)pentanediamide
CID 71362769
2-N-[(2S)-6-amino-1-(hexadecylamino)-1-oxohexan-2-yl]-1-N-propan-2-ylbenzene-1,2-dicarboxamide
CID 139804241
2-[(2-butoxybenzoyl)amino]-N-propan-2-ylbenzamide
CID 4941111
N-butan-2-yl-2-propoxybenzamide
CID 71581291

Frequently Asked Questions

What is the IUPAC name of N,N'-dibutyl-2-[[2-[2-(2-hydroxyethoxy)ethoxy]benzoyl]amino]pentanediamide?
The IUPAC name of N,N'-dibutyl-2-[[2-[2-(2-hydroxyethoxy)ethoxy]benzoyl]amino]pentanediamide (CID 177414776) is N,N'-dibutyl-2-[[2-[2-(2-hydroxyethoxy)ethoxy]benzoyl]amino]pentanediamide.
What is the SMILES notation for N,N'-dibutyl-2-[[2-[2-(2-hydroxyethoxy)ethoxy]benzoyl]amino]pentanediamide?
The canonical SMILES for N,N'-dibutyl-2-[[2-[2-(2-hydroxyethoxy)ethoxy]benzoyl]amino]pentanediamide is CCCCNC(=O)CCC(NC(=O)c1ccccc1OCCOCCO)C(=O)NCCCC.
What is the InChIKey of N,N'-dibutyl-2-[[2-[2-(2-hydroxyethoxy)ethoxy]benzoyl]amino]pentanediamide?
The InChIKey is IWFIPEBTSIQZMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H39N3O6/c1-3-5-13-25-22(29)12-11-20(24(31)26-14-6-4-2)27-23(30)19-9-7-8-10-21(19)33-18-17-32-16-15-28/h7-10,20,28H,3-6,11-18H2,1-2H3,(H,25,29)(H,26,31)(H,27,30).
What are the key properties of N,N'-dibutyl-2-[[2-[2-(2-hydroxyethoxy)ethoxy]benzoyl]amino]pentanediamide?
N,N'-dibutyl-2-[[2-[2-(2-hydroxyethoxy)ethoxy]benzoyl]amino]pentanediamide has a molecular weight of 465.59 g/mol, XLogP of 1.79, 18 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dibutyl-2-[[2-[2-(2-hydroxyethoxy)ethoxy]benzoyl]amino]pentanediamide is sourced from PubChem (CID 177414776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).