3-amino-N-(3-amino-3-oxopropyl)-N-benzyl-2,2-dimethylpropanamide

C15H23N3O2 — CID 115426371

IUPAC3-amino-N-(3-amino-3-oxopropyl)-N-benzyl-2,2-dimethylpropanamide
SMILESCC(C)(CN)C(=O)N(CCC(N)=O)Cc1ccccc1
InChIInChI=1S/C15H23N3O2/c1-15(2,11-16)14(20)18(9-8-13(17)19)10-12-6-4-3-5-7-12/h3-7H,8-11,16H2,1-2H3,(H2,17,19)
InChIKeyMVYOAQUMNWJJPJ-UHFFFAOYSA-N
MW277.37 g/mol
LogP0.88
Rot. Bonds7

About 3-amino-N-(3-amino-3-oxopropyl)-N-benzyl-2,2-dimethylpropanamide

3-amino-N-(3-amino-3-oxopropyl)-N-benzyl-2,2-dimethylpropanamide (PubChem CID 115426371) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 3-amino-N-(3-amino-3-oxopropyl)-N-benzyl-2,2-dimethylpropanamide.

Molecular Properties

Compound Name3-amino-N-(3-amino-3-oxopropyl)-N-benzyl-2,2-dimethylpropanamide
PubChem CID115426371
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name3-amino-N-(3-amino-3-oxopropyl)-N-benzyl-2,2-dimethylpropanamide
SMILESCC(C)(CN)C(=O)N(CCC(N)=O)Cc1ccccc1
InChIInChI=1S/C15H23N3O2/c1-15(2,11-16)14(20)18(9-8-13(17)19)10-12-6-4-3-5-7-12/h3-7H,8-11,16H2,1-2H3,(H2,17,19)
InChIKeyMVYOAQUMNWJJPJ-UHFFFAOYSA-N
XLogP0.88
TPSA89.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[benzyl-(2,2,2-trichloroacetyl)amino]propanamide
CID 154136275
3-[benzyl-[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]propanamide
CID 115949721
3-amino-N-benzyl-N-(cyanomethyl)-2,2-dimethylpropanamide
CID 115426492
1-N,4-N-bis(3-amino-3-oxopropyl)-1-N,4-N-dibenzylbenzene-1,4-dicarboxamide
CID 28642997
N,N'-bis(3-amino-3-oxopropyl)-N,N'-dibenzylhexanediamide
CID 28642999
3-[benzyl(methylcarbamothioyl)amino]propanamide
CID 24540897
N-benzyl-N-(2-hydroxyethyl)-2,2-dimethylbutanamide
CID 62679186
3-[benzyl(prop-2-enoyl)amino]propanamide
CID 54875316
5-[(3-amino-3-oxopropyl)-benzylamino]-5-oxopentanoic acid
CID 28642443
(2S)-2-amino-N-(3-amino-3-oxopropyl)-N-benzylbutanamide;hydrochloride
CID 119275227
3-[benzyl(ethylcarbamothioyl)amino]propanamide
CID 24540900
N-(3-amino-3-oxopropyl)-N-benzyl-3,5-dichlorobenzamide
CID 28642575

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3-amino-3-oxopropyl)-N-benzyl-2,2-dimethylpropanamide?
The IUPAC name of 3-amino-N-(3-amino-3-oxopropyl)-N-benzyl-2,2-dimethylpropanamide (CID 115426371) is 3-amino-N-(3-amino-3-oxopropyl)-N-benzyl-2,2-dimethylpropanamide.
What is the SMILES notation for 3-amino-N-(3-amino-3-oxopropyl)-N-benzyl-2,2-dimethylpropanamide?
The canonical SMILES for 3-amino-N-(3-amino-3-oxopropyl)-N-benzyl-2,2-dimethylpropanamide is CC(C)(CN)C(=O)N(CCC(N)=O)Cc1ccccc1.
What is the InChIKey of 3-amino-N-(3-amino-3-oxopropyl)-N-benzyl-2,2-dimethylpropanamide?
The InChIKey is MVYOAQUMNWJJPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-15(2,11-16)14(20)18(9-8-13(17)19)10-12-6-4-3-5-7-12/h3-7H,8-11,16H2,1-2H3,(H2,17,19).
What are the key properties of 3-amino-N-(3-amino-3-oxopropyl)-N-benzyl-2,2-dimethylpropanamide?
3-amino-N-(3-amino-3-oxopropyl)-N-benzyl-2,2-dimethylpropanamide has a molecular weight of 277.37 g/mol, XLogP of 0.88, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(3-amino-3-oxopropyl)-N-benzyl-2,2-dimethylpropanamide is sourced from PubChem (CID 115426371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).