N'-(4-acetylphenyl)-N-[3-[4-methoxy-2-(methoxymethyl)butoxy]propyl]pentanediamide

C23H36N2O6 — CID 59567313

IUPACN'-(4-acetylphenyl)-N-[3-[4-methoxy-2-(methoxymethyl)butoxy]propyl]pentanediamide
SMILESCOCCC(COC)COCCCNC(=O)CCCC(=O)Nc1ccc(C(C)=O)cc1
InChIInChI=1S/C23H36N2O6/c1-18(26)20-8-10-21(11-9-20)25-23(28)7-4-6-22(27)24-13-5-14-31-17-19(16-30-3)12-15-29-2/h8-11,19H,4-7,12-17H2,1-3H3,(H,24,27)(H,25,28)
InChIKeyXSAHWJYJCBFXIU-UHFFFAOYSA-N
MW436.55 g/mol
LogP2.82
Rot. Bonds17

About N'-(4-acetylphenyl)-N-[3-[4-methoxy-2-(methoxymethyl)butoxy]propyl]pentanediamide

N'-(4-acetylphenyl)-N-[3-[4-methoxy-2-(methoxymethyl)butoxy]propyl]pentanediamide (PubChem CID 59567313) has the molecular formula C23H36N2O6 and a molecular weight of 436.55 g/mol. Its IUPAC name is N'-(4-acetylphenyl)-N-[3-[4-methoxy-2-(methoxymethyl)butoxy]propyl]pentanediamide.

Molecular Properties

Compound NameN'-(4-acetylphenyl)-N-[3-[4-methoxy-2-(methoxymethyl)butoxy]propyl]pentanediamide
PubChem CID59567313
Molecular FormulaC23H36N2O6
Molecular Weight436.55 g/mol
Exact Mass436.26
IUPAC NameN'-(4-acetylphenyl)-N-[3-[4-methoxy-2-(methoxymethyl)butoxy]propyl]pentanediamide
SMILESCOCCC(COC)COCCCNC(=O)CCCC(=O)Nc1ccc(C(C)=O)cc1
InChIInChI=1S/C23H36N2O6/c1-18(26)20-8-10-21(11-9-20)25-23(28)7-4-6-22(27)24-13-5-14-31-17-19(16-30-3)12-15-29-2/h8-11,19H,4-7,12-17H2,1-3H3,(H,24,27)(H,25,28)
InChIKeyXSAHWJYJCBFXIU-UHFFFAOYSA-N
XLogP2.82
TPSA102.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds17
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.55
LogP ≤ 52.82
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'-[3-[4-methoxy-2-(methoxymethyl)butoxy]propyl]-N-(6-oxoheptyl)pentanediamide
CID 59567241
N,N'-bis[4-(3-methoxypropylcarbamoyl)phenyl]pentanediamide
CID 17205407
1-(4-acetylphenyl)-3-[3-(2-methoxyethoxy)propyl]urea
CID 60724202
N,N'-bis[4-(2-methoxyethylcarbamoyl)phenyl]hexanediamide
CID 17218594
4-acetamido-N-[3-(2-methoxyethoxy)propyl]benzamide
CID 134029617
N-(4-acetylphenyl)-4-(methylamino)butanamide
CID 61258439
N-(4-acetylphenyl)-N'-(3-methoxypropyl)-2,2-dimethylpropanediamide
CID 108959753
N-(4-acetylphenyl)-5-aminohexanamide
CID 82852023
S-[2-[[6-(4-acetylanilino)-6-oxohexyl]amino]-2-oxoethyl] ethanethioate
CID 11660578
methyl 4-[4-(4-acetylphenoxy)butanoylamino]benzoate
CID 7741287
4-N-(4-acetylphenyl)-1-N-(2-methoxyethyl)benzene-1,4-dicarboxamide
CID 109045198
N,N'-bis[4-(butylcarbamoyl)phenyl]pentanediamide
CID 17195941

Frequently Asked Questions

What is the IUPAC name of N'-(4-acetylphenyl)-N-[3-[4-methoxy-2-(methoxymethyl)butoxy]propyl]pentanediamide?
The IUPAC name of N'-(4-acetylphenyl)-N-[3-[4-methoxy-2-(methoxymethyl)butoxy]propyl]pentanediamide (CID 59567313) is N'-(4-acetylphenyl)-N-[3-[4-methoxy-2-(methoxymethyl)butoxy]propyl]pentanediamide.
What is the SMILES notation for N'-(4-acetylphenyl)-N-[3-[4-methoxy-2-(methoxymethyl)butoxy]propyl]pentanediamide?
The canonical SMILES for N'-(4-acetylphenyl)-N-[3-[4-methoxy-2-(methoxymethyl)butoxy]propyl]pentanediamide is COCCC(COC)COCCCNC(=O)CCCC(=O)Nc1ccc(C(C)=O)cc1.
What is the InChIKey of N'-(4-acetylphenyl)-N-[3-[4-methoxy-2-(methoxymethyl)butoxy]propyl]pentanediamide?
The InChIKey is XSAHWJYJCBFXIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H36N2O6/c1-18(26)20-8-10-21(11-9-20)25-23(28)7-4-6-22(27)24-13-5-14-31-17-19(16-30-3)12-15-29-2/h8-11,19H,4-7,12-17H2,1-3H3,(H,24,27)(H,25,28).
What are the key properties of N'-(4-acetylphenyl)-N-[3-[4-methoxy-2-(methoxymethyl)butoxy]propyl]pentanediamide?
N'-(4-acetylphenyl)-N-[3-[4-methoxy-2-(methoxymethyl)butoxy]propyl]pentanediamide has a molecular weight of 436.55 g/mol, XLogP of 2.82, 17 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-acetylphenyl)-N-[3-[4-methoxy-2-(methoxymethyl)butoxy]propyl]pentanediamide is sourced from PubChem (CID 59567313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).