N-methyl-N'-[3-(2-methylpropoxy)propyl]pentanediamide

C13H26N2O3 — CID 167464495

IUPACN-methyl-N'-[3-(2-methylpropoxy)propyl]pentanediamide
SMILESCNC(=O)CCCC(=O)NCCCOCC(C)C
InChIInChI=1S/C13H26N2O3/c1-11(2)10-18-9-5-8-15-13(17)7-4-6-12(16)14-3/h11H,4-10H2,1-3H3,(H,14,16)(H,15,17)
InChIKeyGPILPTOXXLVPHH-UHFFFAOYSA-N
MW258.36 g/mol
LogP1.08
Rot. Bonds10

About N-methyl-N'-[3-(2-methylpropoxy)propyl]pentanediamide

N-methyl-N'-[3-(2-methylpropoxy)propyl]pentanediamide (PubChem CID 167464495) has the molecular formula C13H26N2O3 and a molecular weight of 258.36 g/mol. Its IUPAC name is N-methyl-N'-[3-(2-methylpropoxy)propyl]pentanediamide.

Molecular Properties

Compound NameN-methyl-N'-[3-(2-methylpropoxy)propyl]pentanediamide
PubChem CID167464495
Molecular FormulaC13H26N2O3
Molecular Weight258.36 g/mol
Exact Mass258.19
IUPAC NameN-methyl-N'-[3-(2-methylpropoxy)propyl]pentanediamide
SMILESCNC(=O)CCCC(=O)NCCCOCC(C)C
InChIInChI=1S/C13H26N2O3/c1-11(2)10-18-9-5-8-15-13(17)7-4-6-12(16)14-3/h11H,4-10H2,1-3H3,(H,14,16)(H,15,17)
InChIKeyGPILPTOXXLVPHH-UHFFFAOYSA-N
XLogP1.08
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(2-methylpropoxy)propyl]propanamide
CID 60705995
2-(methylamino)-N-[3-(2-methylpropoxy)propyl]acetamide;hydrochloride
CID 119693610
4-(2-methylpropoxy)-N-(2-methylpropyl)butanamide
CID 177120223
2-methyl-N-[3-(2-methylpropoxy)propyl]propanamide
CID 60714986
6-methyl-N-[3-[2-[2-(4-methylpentoxy)ethoxy]ethoxy]propyl]heptanamide
CID 130253038
N-[3-(2,3-dimethylbutoxy)propyl]butanamide
CID 170407849
2-hydroxy-2-methyl-N-[3-(2-methylpropoxy)propyl]propanamide
CID 104936506
N-methyl-N'-[2-(2-propoxyethoxy)ethyl]pentanediamide
CID 176584959
N-(3-methylbutyl)-2-[3-(2-methylpropoxy)propylamino]acetamide
CID 113219121
N-[2-(2-methylpropoxy)ethyl]propanamide
CID 115588549
5-[3-[2-[2-[3-(4-carboxybutanoylamino)propoxy]ethoxy]ethoxy]propylamino]-5-oxopentanoic acid
CID 89212622
2-[3-(2-methylpropoxy)propylamino]-N-(2-methylpropyl)propanamide
CID 103604221

Frequently Asked Questions

What is the IUPAC name of N-methyl-N'-[3-(2-methylpropoxy)propyl]pentanediamide?
The IUPAC name of N-methyl-N'-[3-(2-methylpropoxy)propyl]pentanediamide (CID 167464495) is N-methyl-N'-[3-(2-methylpropoxy)propyl]pentanediamide.
What is the SMILES notation for N-methyl-N'-[3-(2-methylpropoxy)propyl]pentanediamide?
The canonical SMILES for N-methyl-N'-[3-(2-methylpropoxy)propyl]pentanediamide is CNC(=O)CCCC(=O)NCCCOCC(C)C.
What is the InChIKey of N-methyl-N'-[3-(2-methylpropoxy)propyl]pentanediamide?
The InChIKey is GPILPTOXXLVPHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3/c1-11(2)10-18-9-5-8-15-13(17)7-4-6-12(16)14-3/h11H,4-10H2,1-3H3,(H,14,16)(H,15,17).
What are the key properties of N-methyl-N'-[3-(2-methylpropoxy)propyl]pentanediamide?
N-methyl-N'-[3-(2-methylpropoxy)propyl]pentanediamide has a molecular weight of 258.36 g/mol, XLogP of 1.08, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N'-[3-(2-methylpropoxy)propyl]pentanediamide is sourced from PubChem (CID 167464495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).