2-[3-(2-aminophenyl)propanoylamino]-N-tert-butylpropanamide;hydrochloride

C16H26ClN3O2 — CID 120609736

IUPAC2-[3-(2-aminophenyl)propanoylamino]-N-tert-butylpropanamide;hydrochloride
SMILESCC(NC(=O)CCc1ccccc1N)C(=O)NC(C)(C)C.Cl
InChIInChI=1S/C16H25N3O2.ClH/c1-11(15(21)19-16(2,3)4)18-14(20)10-9-12-7-5-6-8-13(12)17;/h5-8,11H,9-10,17H2,1-4H3,(H,18,20)(H,19,21);1H
InChIKeyNOSZMNWGXQBALV-UHFFFAOYSA-N
MW327.86 g/mol
LogP2.04
Rot. Bonds5

About 2-[3-(2-aminophenyl)propanoylamino]-N-tert-butylpropanamide;hydrochloride

2-[3-(2-aminophenyl)propanoylamino]-N-tert-butylpropanamide;hydrochloride (PubChem CID 120609736) has the molecular formula C16H26ClN3O2 and a molecular weight of 327.86 g/mol. Its IUPAC name is 2-[3-(2-aminophenyl)propanoylamino]-N-tert-butylpropanamide;hydrochloride.

Molecular Properties

Compound Name2-[3-(2-aminophenyl)propanoylamino]-N-tert-butylpropanamide;hydrochloride
PubChem CID120609736
Molecular FormulaC16H26ClN3O2
Molecular Weight327.86 g/mol
Exact Mass327.17
IUPAC Name2-[3-(2-aminophenyl)propanoylamino]-N-tert-butylpropanamide;hydrochloride
SMILESCC(NC(=O)CCc1ccccc1N)C(=O)NC(C)(C)C.Cl
InChIInChI=1S/C16H25N3O2.ClH/c1-11(15(21)19-16(2,3)4)18-14(20)10-9-12-7-5-6-8-13(12)17;/h5-8,11H,9-10,17H2,1-4H3,(H,18,20)(H,19,21);1H
InChIKeyNOSZMNWGXQBALV-UHFFFAOYSA-N
XLogP2.04
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.86
LogP ≤ 52.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[3-(2-aminophenyl)propanoylamino]-N-butan-2-ylpropanamide;hydrochloride
CID 120609968
methyl 2-[3-(2-aminophenyl)propanoylamino]propanoate
CID 107273028
2-[3-(2-aminophenyl)propanoylamino]-N,N-dimethylpropanamide
CID 61466661
2-[3-(2-aminophenyl)propanoylamino]-3-methylbutanamide
CID 107329581
3-(2-aminophenyl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]propanamide
CID 107273207
methyl 2-[3-(2-aminophenyl)propanoylamino]-4-methylpentanoate;hydrochloride
CID 120609137
3-(2-aminophenyl)-N-[1-(2-chlorophenyl)ethyl]propanamide
CID 107273000
3-(2-aminophenyl)-N-[(1S)-1-(4-fluorophenyl)ethyl]propanamide
CID 107273267
3-(2-aminophenyl)-N-[(1R)-1-(4-fluorophenyl)ethyl]propanamide
CID 107273266
2-[(2-anilinoacetyl)amino]-N-tert-butylpropanamide;hydrochloride
CID 119748180
2-[[2-(4-aminophenyl)acetyl]amino]-N-tert-butylpropanamide
CID 115597377
2-amino-N-[1-(tert-butylamino)-1-oxopropan-2-yl]benzamide
CID 112687775

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-aminophenyl)propanoylamino]-N-tert-butylpropanamide;hydrochloride?
The IUPAC name of 2-[3-(2-aminophenyl)propanoylamino]-N-tert-butylpropanamide;hydrochloride (CID 120609736) is 2-[3-(2-aminophenyl)propanoylamino]-N-tert-butylpropanamide;hydrochloride.
What is the SMILES notation for 2-[3-(2-aminophenyl)propanoylamino]-N-tert-butylpropanamide;hydrochloride?
The canonical SMILES for 2-[3-(2-aminophenyl)propanoylamino]-N-tert-butylpropanamide;hydrochloride is CC(NC(=O)CCc1ccccc1N)C(=O)NC(C)(C)C.Cl.
What is the InChIKey of 2-[3-(2-aminophenyl)propanoylamino]-N-tert-butylpropanamide;hydrochloride?
The InChIKey is NOSZMNWGXQBALV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2.ClH/c1-11(15(21)19-16(2,3)4)18-14(20)10-9-12-7-5-6-8-13(12)17;/h5-8,11H,9-10,17H2,1-4H3,(H,18,20)(H,19,21);1H.
What are the key properties of 2-[3-(2-aminophenyl)propanoylamino]-N-tert-butylpropanamide;hydrochloride?
2-[3-(2-aminophenyl)propanoylamino]-N-tert-butylpropanamide;hydrochloride has a molecular weight of 327.86 g/mol, XLogP of 2.04, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-aminophenyl)propanoylamino]-N-tert-butylpropanamide;hydrochloride is sourced from PubChem (CID 120609736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).