4-(methylamino)-N-[2-methyl-2-(5-methylfuran-2-yl)propyl]butanamide

C14H24N2O2 — CID 115155862

IUPAC4-(methylamino)-N-[2-methyl-2-(5-methylfuran-2-yl)propyl]butanamide
SMILESCNCCCC(=O)NCC(C)(C)c1ccc(C)o1
InChIInChI=1S/C14H24N2O2/c1-11-7-8-12(18-11)14(2,3)10-16-13(17)6-5-9-15-4/h7-8,15H,5-6,9-10H2,1-4H3,(H,16,17)
InChIKeyBGLMPABUPZSJHB-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.98
Rot. Bonds7

About 4-(methylamino)-N-[2-methyl-2-(5-methylfuran-2-yl)propyl]butanamide

4-(methylamino)-N-[2-methyl-2-(5-methylfuran-2-yl)propyl]butanamide (PubChem CID 115155862) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 4-(methylamino)-N-[2-methyl-2-(5-methylfuran-2-yl)propyl]butanamide.

Molecular Properties

Compound Name4-(methylamino)-N-[2-methyl-2-(5-methylfuran-2-yl)propyl]butanamide
PubChem CID115155862
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name4-(methylamino)-N-[2-methyl-2-(5-methylfuran-2-yl)propyl]butanamide
SMILESCNCCCC(=O)NCC(C)(C)c1ccc(C)o1
InChIInChI=1S/C14H24N2O2/c1-11-7-8-12(18-11)14(2,3)10-16-13(17)6-5-9-15-4/h7-8,15H,5-6,9-10H2,1-4H3,(H,16,17)
InChIKeyBGLMPABUPZSJHB-UHFFFAOYSA-N
XLogP1.98
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.98
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

4-(methylamino)-N-[2-methyl-2-(1H-pyrrol-3-yl)propyl]butanamide
CID 115155852
N-[2-(2-fluorophenyl)-2-methylpropyl]-4-(methylamino)butanamide;hydrochloride
CID 119766073
N-[3-[[2-hydroxy-2-(5-methylfuran-2-yl)propyl]amino]-3-oxopropyl]-2,2-dimethylpropanamide
CID 111520060
N-(2-hydroxy-2-methylpropyl)-4-(methylamino)butanamide
CID 65107193
4-(4-fluorophenoxy)-N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]butanamide
CID 111481140
2-methyl-1-N-[2-methyl-2-(5-methylfuran-2-yl)propyl]propane-1,2-diamine
CID 115136377
N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-4-pyridin-3-yloxybutanamide
CID 111481199
4-methyl-4-(5-methylfuran-2-yl)pentanoic acid
CID 14357302
4-(methylamino)-N-(2-methyl-2-methylsulfanylpropyl)butanamide
CID 115739817
methyl 4-methyl-4-(5-methylfuran-2-yl)pentanoate
CID 14357301
ethyl 2-[[2-methyl-2-(5-methylfuran-2-yl)propyl]amino]acetate
CID 115257618
4-(methylamino)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]butanamide
CID 103811586

Frequently Asked Questions

What is the IUPAC name of 4-(methylamino)-N-[2-methyl-2-(5-methylfuran-2-yl)propyl]butanamide?
The IUPAC name of 4-(methylamino)-N-[2-methyl-2-(5-methylfuran-2-yl)propyl]butanamide (CID 115155862) is 4-(methylamino)-N-[2-methyl-2-(5-methylfuran-2-yl)propyl]butanamide.
What is the SMILES notation for 4-(methylamino)-N-[2-methyl-2-(5-methylfuran-2-yl)propyl]butanamide?
The canonical SMILES for 4-(methylamino)-N-[2-methyl-2-(5-methylfuran-2-yl)propyl]butanamide is CNCCCC(=O)NCC(C)(C)c1ccc(C)o1.
What is the InChIKey of 4-(methylamino)-N-[2-methyl-2-(5-methylfuran-2-yl)propyl]butanamide?
The InChIKey is BGLMPABUPZSJHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-11-7-8-12(18-11)14(2,3)10-16-13(17)6-5-9-15-4/h7-8,15H,5-6,9-10H2,1-4H3,(H,16,17).
What are the key properties of 4-(methylamino)-N-[2-methyl-2-(5-methylfuran-2-yl)propyl]butanamide?
4-(methylamino)-N-[2-methyl-2-(5-methylfuran-2-yl)propyl]butanamide has a molecular weight of 252.36 g/mol, XLogP of 1.98, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylamino)-N-[2-methyl-2-(5-methylfuran-2-yl)propyl]butanamide is sourced from PubChem (CID 115155862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).