3-[acetyl(benzyl)amino]-N-(1-amino-2-methylpropan-2-yl)propanamide;hydrochloride

C16H26ClN3O2 — CID 119521673

IUPAC3-[acetyl(benzyl)amino]-N-(1-amino-2-methylpropan-2-yl)propanamide;hydrochloride
SMILESCC(=O)N(CCC(=O)NC(C)(C)CN)Cc1ccccc1.Cl
InChIInChI=1S/C16H25N3O2.ClH/c1-13(20)19(11-14-7-5-4-6-8-14)10-9-15(21)18-16(2,3)12-17;/h4-8H,9-12,17H2,1-3H3,(H,18,21);1H
InChIKeyHMLYLHGKPAYQAA-UHFFFAOYSA-N
MW327.86 g/mol
LogP1.70
Rot. Bonds7

About 3-[acetyl(benzyl)amino]-N-(1-amino-2-methylpropan-2-yl)propanamide;hydrochloride

3-[acetyl(benzyl)amino]-N-(1-amino-2-methylpropan-2-yl)propanamide;hydrochloride (PubChem CID 119521673) has the molecular formula C16H26ClN3O2 and a molecular weight of 327.86 g/mol. Its IUPAC name is 3-[acetyl(benzyl)amino]-N-(1-amino-2-methylpropan-2-yl)propanamide;hydrochloride.

Molecular Properties

Compound Name3-[acetyl(benzyl)amino]-N-(1-amino-2-methylpropan-2-yl)propanamide;hydrochloride
PubChem CID119521673
Molecular FormulaC16H26ClN3O2
Molecular Weight327.86 g/mol
Exact Mass327.17
IUPAC Name3-[acetyl(benzyl)amino]-N-(1-amino-2-methylpropan-2-yl)propanamide;hydrochloride
SMILESCC(=O)N(CCC(=O)NC(C)(C)CN)Cc1ccccc1.Cl
InChIInChI=1S/C16H25N3O2.ClH/c1-13(20)19(11-14-7-5-4-6-8-14)10-9-15(21)18-16(2,3)12-17;/h4-8H,9-12,17H2,1-3H3,(H,18,21);1H
InChIKeyHMLYLHGKPAYQAA-UHFFFAOYSA-N
XLogP1.70
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.86
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-amino-2-methylpropan-2-yl)-2-(dibenzylamino)acetamide;dihydrochloride
CID 119522718
N-[2-[acetyl(benzyl)amino]ethyl]-N-benzylacetamide
CID 562449
4-[3-[acetyl(benzyl)amino]propanoylamino]cyclohexane-1-carboxylic acid
CID 119229266
3-[acetyl(benzyl)amino]-N-[(4-methylphenyl)methyl]propanamide
CID 113118207
3-[acetyl(benzyl)amino]-N-(4-fluorophenyl)propanamide
CID 113118291
3-[acetyl(benzyl)amino]-N-[2-(trifluoromethyl)phenyl]propanamide
CID 113118316
ethyl 3-[acetyl(benzyl)amino]propanoate
CID 14922098
3-[acetyl(benzyl)amino]-N-benzyl-N-methylpropanamide
CID 113118209
3-[acetyl(benzyl)amino]-N,N-diethylpropanamide
CID 113118249
3-[3-[acetyl(benzyl)amino]propanoyl-methylamino]propanoic acid
CID 119232553
4-[acetyl(benzyl)amino]butanoic acid
CID 92930357
3-[acetyl(benzyl)amino]-N-(2-aminoethyl)-N-(2-phenylethyl)propanamide
CID 120884500

Frequently Asked Questions

What is the IUPAC name of 3-[acetyl(benzyl)amino]-N-(1-amino-2-methylpropan-2-yl)propanamide;hydrochloride?
The IUPAC name of 3-[acetyl(benzyl)amino]-N-(1-amino-2-methylpropan-2-yl)propanamide;hydrochloride (CID 119521673) is 3-[acetyl(benzyl)amino]-N-(1-amino-2-methylpropan-2-yl)propanamide;hydrochloride.
What is the SMILES notation for 3-[acetyl(benzyl)amino]-N-(1-amino-2-methylpropan-2-yl)propanamide;hydrochloride?
The canonical SMILES for 3-[acetyl(benzyl)amino]-N-(1-amino-2-methylpropan-2-yl)propanamide;hydrochloride is CC(=O)N(CCC(=O)NC(C)(C)CN)Cc1ccccc1.Cl.
What is the InChIKey of 3-[acetyl(benzyl)amino]-N-(1-amino-2-methylpropan-2-yl)propanamide;hydrochloride?
The InChIKey is HMLYLHGKPAYQAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2.ClH/c1-13(20)19(11-14-7-5-4-6-8-14)10-9-15(21)18-16(2,3)12-17;/h4-8H,9-12,17H2,1-3H3,(H,18,21);1H.
What are the key properties of 3-[acetyl(benzyl)amino]-N-(1-amino-2-methylpropan-2-yl)propanamide;hydrochloride?
3-[acetyl(benzyl)amino]-N-(1-amino-2-methylpropan-2-yl)propanamide;hydrochloride has a molecular weight of 327.86 g/mol, XLogP of 1.70, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[acetyl(benzyl)amino]-N-(1-amino-2-methylpropan-2-yl)propanamide;hydrochloride is sourced from PubChem (CID 119521673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).