2-methyl-N-[3-(2-methylpropanoylamino)propyl]propanamide

C11H22N2O2 — CID 4145723

IUPAC2-methyl-N-[3-(2-methylpropanoylamino)propyl]propanamide
SMILESCC(C)C(=O)NCCCNC(=O)C(C)C
InChIInChI=1S/C11H22N2O2/c1-8(2)10(14)12-6-5-7-13-11(15)9(3)4/h8-9H,5-7H2,1-4H3,(H,12,14)(H,13,15)
InChIKeyFKDJUOWBISWERT-UHFFFAOYSA-N
MW214.31 g/mol
LogP0.92
Rot. Bonds6

About 2-methyl-N-[3-(2-methylpropanoylamino)propyl]propanamide

2-methyl-N-[3-(2-methylpropanoylamino)propyl]propanamide (PubChem CID 4145723) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 2-methyl-N-[3-(2-methylpropanoylamino)propyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[3-(2-methylpropanoylamino)propyl]propanamide
PubChem CID4145723
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name2-methyl-N-[3-(2-methylpropanoylamino)propyl]propanamide
SMILESCC(C)C(=O)NCCCNC(=O)C(C)C
InChIInChI=1S/C11H22N2O2/c1-8(2)10(14)12-6-5-7-13-11(15)9(3)4/h8-9H,5-7H2,1-4H3,(H,12,14)(H,13,15)
InChIKeyFKDJUOWBISWERT-UHFFFAOYSA-N
XLogP0.92
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N1-Acetylspermine
CID 916
N8-Acetylspermidine
CID 123689
N1-Acetylspermidine
CID 496
N-Isobutylacetamide
CID 137071
N1,N12-Diacetylspermine
CID 132680
Butanamide, N-(2-methylpropyl)-
CID 346250
Acetamidopropyl trimonium chloride
CID 57483053
n-Butyl-2-methylpropanamide
CID 221968
N(1)-acetylsperminium(3+)
CID 25201943
N-[4-(propanoylamino)butyl]propanamide
CID 2167047
N,N'-bis(2-methylpropyl)oxamide
CID 314340
N-(3-aminopropyl)acetamide
CID 13793967

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[3-(2-methylpropanoylamino)propyl]propanamide?
The IUPAC name of 2-methyl-N-[3-(2-methylpropanoylamino)propyl]propanamide (CID 4145723) is 2-methyl-N-[3-(2-methylpropanoylamino)propyl]propanamide.
What is the SMILES notation for 2-methyl-N-[3-(2-methylpropanoylamino)propyl]propanamide?
The canonical SMILES for 2-methyl-N-[3-(2-methylpropanoylamino)propyl]propanamide is CC(C)C(=O)NCCCNC(=O)C(C)C.
What is the InChIKey of 2-methyl-N-[3-(2-methylpropanoylamino)propyl]propanamide?
The InChIKey is FKDJUOWBISWERT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-8(2)10(14)12-6-5-7-13-11(15)9(3)4/h8-9H,5-7H2,1-4H3,(H,12,14)(H,13,15).
What are the key properties of 2-methyl-N-[3-(2-methylpropanoylamino)propyl]propanamide?
2-methyl-N-[3-(2-methylpropanoylamino)propyl]propanamide has a molecular weight of 214.31 g/mol, XLogP of 0.92, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[3-(2-methylpropanoylamino)propyl]propanamide is sourced from PubChem (CID 4145723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).