2-amino-4-methyl-N-[3-(3-oxopropoxy)propyl]pentanamide;molecular fluorine;hydrofluoride

C12H25F5N2O3 — CID 158547627

IUPAC2-amino-4-methyl-N-[3-(3-oxopropoxy)propyl]pentanamide;molecular fluorine;hydrofluoride
SMILESCC(C)CC(N)C(=O)NCCCOCCC=O.F.FF.FF
InChIInChI=1S/C12H24N2O3.2F2.FH/c1-10(2)9-11(13)12(16)14-5-3-7-17-8-4-6-15;2*1-2;/h6,10-11H,3-5,7-9,13H2,1-2H3,(H,14,16);;;1H
InChIKeyHPHWKZRUZPFMEN-UHFFFAOYSA-N
MW340.33 g/mol
LogP2.31
Rot. Bonds10

About 2-amino-4-methyl-N-[3-(3-oxopropoxy)propyl]pentanamide;molecular fluorine;hydrofluoride

2-amino-4-methyl-N-[3-(3-oxopropoxy)propyl]pentanamide;molecular fluorine;hydrofluoride (PubChem CID 158547627) has the molecular formula C12H25F5N2O3 and a molecular weight of 340.33 g/mol. Its IUPAC name is 2-amino-4-methyl-N-[3-(3-oxopropoxy)propyl]pentanamide;molecular fluorine;hydrofluoride.

Molecular Properties

Compound Name2-amino-4-methyl-N-[3-(3-oxopropoxy)propyl]pentanamide;molecular fluorine;hydrofluoride
PubChem CID158547627
Molecular FormulaC12H25F5N2O3
Molecular Weight340.33 g/mol
Exact Mass340.18
IUPAC Name2-amino-4-methyl-N-[3-(3-oxopropoxy)propyl]pentanamide;molecular fluorine;hydrofluoride
SMILESCC(C)CC(N)C(=O)NCCCOCCC=O.F.FF.FF
InChIInChI=1S/C12H24N2O3.2F2.FH/c1-10(2)9-11(13)12(16)14-5-3-7-17-8-4-6-15;2*1-2;/h6,10-11H,3-5,7-9,13H2,1-2H3,(H,14,16);;;1H
InChIKeyHPHWKZRUZPFMEN-UHFFFAOYSA-N
XLogP2.31
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.33
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-amino-4-methyl-N-[3-(3-oxopropoxy)propyl]pentanamide;molecular fluorine;hydrofluoride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-N-(3-methoxypropyl)-4-methylpentanamide
CID 22170060
(2S)-2-amino-4-methyl-N-(3-propan-2-yloxypropyl)pentanamide
CID 61275418
(2S)-2-amino-N-[3-(cyclopropylmethoxy)propyl]-4-methylpentanamide
CID 61155391
(2S)-2-amino-4-methyl-N-(4-methylpentyl)pentanamide
CID 61158361
(2R)-2-amino-4-methyl-N-[2-(2-methylpropoxy)ethyl]pentanamide
CID 104904081
(2S)-2-amino-4-methyl-N-[3-(2-phenylethoxy)propyl]pentanamide
CID 119739711
(2R)-2-amino-N-[2-(2-methoxyethoxy)ethyl]-4-methylpentanamide
CID 104903353
2-amino-N-(5-amino-5-oxopentyl)-4-methylpentanamide
CID 106235612
(2R)-2-amino-N-(3-cyclopropylpropyl)-4-methylpentanamide
CID 104904077
(2S)-2-amino-4-methyl-N-[2-(2-methylsulfonylethoxy)ethyl]pentanamide
CID 119803206
3-amino-4-[3-(2-hydroxyethoxy)propylamino]-4-oxobutanoic acid
CID 106310522
(2S)-2-amino-N-[3-(2-methoxyethoxy)propyl]butanamide
CID 79023229

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-methyl-N-[3-(3-oxopropoxy)propyl]pentanamide;molecular fluorine;hydrofluoride?
The IUPAC name of 2-amino-4-methyl-N-[3-(3-oxopropoxy)propyl]pentanamide;molecular fluorine;hydrofluoride (CID 158547627) is 2-amino-4-methyl-N-[3-(3-oxopropoxy)propyl]pentanamide;molecular fluorine;hydrofluoride.
What is the SMILES notation for 2-amino-4-methyl-N-[3-(3-oxopropoxy)propyl]pentanamide;molecular fluorine;hydrofluoride?
The canonical SMILES for 2-amino-4-methyl-N-[3-(3-oxopropoxy)propyl]pentanamide;molecular fluorine;hydrofluoride is CC(C)CC(N)C(=O)NCCCOCCC=O.F.FF.FF.
What is the InChIKey of 2-amino-4-methyl-N-[3-(3-oxopropoxy)propyl]pentanamide;molecular fluorine;hydrofluoride?
The InChIKey is HPHWKZRUZPFMEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3.2F2.FH/c1-10(2)9-11(13)12(16)14-5-3-7-17-8-4-6-15;2*1-2;/h6,10-11H,3-5,7-9,13H2,1-2H3,(H,14,16);;;1H.
What are the key properties of 2-amino-4-methyl-N-[3-(3-oxopropoxy)propyl]pentanamide;molecular fluorine;hydrofluoride?
2-amino-4-methyl-N-[3-(3-oxopropoxy)propyl]pentanamide;molecular fluorine;hydrofluoride has a molecular weight of 340.33 g/mol, XLogP of 2.31, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-methyl-N-[3-(3-oxopropoxy)propyl]pentanamide;molecular fluorine;hydrofluoride is sourced from PubChem (CID 158547627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).