4-amino-N-[2-(diethylamino)-2-oxoethyl]-4-methylpentanamide

C12H25N3O2 — CID 112701724

IUPAC4-amino-N-[2-(diethylamino)-2-oxoethyl]-4-methylpentanamide
SMILESCCN(CC)C(=O)CNC(=O)CCC(C)(C)N
InChIInChI=1S/C12H25N3O2/c1-5-15(6-2)11(17)9-14-10(16)7-8-12(3,4)13/h5-9,13H2,1-4H3,(H,14,16)
InChIKeyVLVBHVFFKOVANZ-UHFFFAOYSA-N
MW243.35 g/mol
LogP0.49
Rot. Bonds7

About 4-amino-N-[2-(diethylamino)-2-oxoethyl]-4-methylpentanamide

4-amino-N-[2-(diethylamino)-2-oxoethyl]-4-methylpentanamide (PubChem CID 112701724) has the molecular formula C12H25N3O2 and a molecular weight of 243.35 g/mol. Its IUPAC name is 4-amino-N-[2-(diethylamino)-2-oxoethyl]-4-methylpentanamide.

Molecular Properties

Compound Name4-amino-N-[2-(diethylamino)-2-oxoethyl]-4-methylpentanamide
PubChem CID112701724
Molecular FormulaC12H25N3O2
Molecular Weight243.35 g/mol
Exact Mass243.19
IUPAC Name4-amino-N-[2-(diethylamino)-2-oxoethyl]-4-methylpentanamide
SMILESCCN(CC)C(=O)CNC(=O)CCC(C)(C)N
InChIInChI=1S/C12H25N3O2/c1-5-15(6-2)11(17)9-14-10(16)7-8-12(3,4)13/h5-9,13H2,1-4H3,(H,14,16)
InChIKeyVLVBHVFFKOVANZ-UHFFFAOYSA-N
XLogP0.49
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-amino-N-[2-(diethylamino)-2-oxoethyl]-4-methylpentanamide 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

N-[2-(diethylamino)-2-oxoethyl]-3-oxobutanamide
CID 112704350
4-amino-N-[2-[ethyl(propyl)amino]ethyl]-4-methylpentanamide
CID 103814940
2-(aminomethyl)-N-[2-(diethylamino)-2-oxoethyl]-2-ethylbutanamide
CID 112703701
4-amino-N-(2-ethylsulfonylethyl)-4-methylpentanamide
CID 103810364
4-amino-N-(2-ethyl-2-methylsulfanylbutyl)-4-methylpentanamide
CID 103812548
2-(tert-butylamino)-N,N-diethylacetamide
CID 28586539
4-amino-N-(2-hydroxyethyl)-4-methylpentanamide;oxalic acid
CID 88516953
2-[[2-(diethylamino)-2-oxoethyl]amino]-N,N-diethylacetamide
CID 56638226
(2R)-2-amino-N-[2-(diethylamino)-2-oxoethyl]propanamide
CID 103795937
2-(2,2-dimethylpropylamino)-N,N-diethylacetamide
CID 61167034
ethyl 2-[(6-amino-4,4-dimethylhexanoyl)amino]acetate
CID 65290762
N,N-diethyl-2-(3,3,3-trifluoropropylamino)acetamide
CID 63226531

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-(diethylamino)-2-oxoethyl]-4-methylpentanamide?
The IUPAC name of 4-amino-N-[2-(diethylamino)-2-oxoethyl]-4-methylpentanamide (CID 112701724) is 4-amino-N-[2-(diethylamino)-2-oxoethyl]-4-methylpentanamide.
What is the SMILES notation for 4-amino-N-[2-(diethylamino)-2-oxoethyl]-4-methylpentanamide?
The canonical SMILES for 4-amino-N-[2-(diethylamino)-2-oxoethyl]-4-methylpentanamide is CCN(CC)C(=O)CNC(=O)CCC(C)(C)N.
What is the InChIKey of 4-amino-N-[2-(diethylamino)-2-oxoethyl]-4-methylpentanamide?
The InChIKey is VLVBHVFFKOVANZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O2/c1-5-15(6-2)11(17)9-14-10(16)7-8-12(3,4)13/h5-9,13H2,1-4H3,(H,14,16).
What are the key properties of 4-amino-N-[2-(diethylamino)-2-oxoethyl]-4-methylpentanamide?
4-amino-N-[2-(diethylamino)-2-oxoethyl]-4-methylpentanamide has a molecular weight of 243.35 g/mol, XLogP of 0.49, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-(diethylamino)-2-oxoethyl]-4-methylpentanamide is sourced from PubChem (CID 112701724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).