2-[(2-anilinoacetyl)amino]-N-tert-butylpropanamide;hydrochloride

C15H24ClN3O2 — CID 119748180

IUPAC2-[(2-anilinoacetyl)amino]-N-tert-butylpropanamide;hydrochloride
SMILESCC(NC(=O)CNc1ccccc1)C(=O)NC(C)(C)C.Cl
InChIInChI=1S/C15H23N3O2.ClH/c1-11(14(20)18-15(2,3)4)17-13(19)10-16-12-8-6-5-7-9-12;/h5-9,11,16H,10H2,1-4H3,(H,17,19)(H,18,20);1H
InChIKeyUFZAMIZAVCRNFM-UHFFFAOYSA-N
MW313.83 g/mol
LogP1.94
Rot. Bonds5

About 2-[(2-anilinoacetyl)amino]-N-tert-butylpropanamide;hydrochloride

2-[(2-anilinoacetyl)amino]-N-tert-butylpropanamide;hydrochloride (PubChem CID 119748180) has the molecular formula C15H24ClN3O2 and a molecular weight of 313.83 g/mol. Its IUPAC name is 2-[(2-anilinoacetyl)amino]-N-tert-butylpropanamide;hydrochloride.

Molecular Properties

Compound Name2-[(2-anilinoacetyl)amino]-N-tert-butylpropanamide;hydrochloride
PubChem CID119748180
Molecular FormulaC15H24ClN3O2
Molecular Weight313.83 g/mol
Exact Mass313.16
IUPAC Name2-[(2-anilinoacetyl)amino]-N-tert-butylpropanamide;hydrochloride
SMILESCC(NC(=O)CNc1ccccc1)C(=O)NC(C)(C)C.Cl
InChIInChI=1S/C15H23N3O2.ClH/c1-11(14(20)18-15(2,3)4)17-13(19)10-16-12-8-6-5-7-9-12;/h5-9,11,16H,10H2,1-4H3,(H,17,19)(H,18,20);1H
InChIKeyUFZAMIZAVCRNFM-UHFFFAOYSA-N
XLogP1.94
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.83
LogP ≤ 51.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-anilinoacetyl)amino]propanamide
CID 22166450
(2R)-2-[(2-anilinoacetyl)amino]propanamide
CID 173385485
(2S)-2-anilino-N-tert-butylpropanamide
CID 28840351
2-anilino-N-(1-phenylethyl)acetamide
CID 54810260
3-amino-N-[1-(tert-butylamino)-1-oxopropan-2-yl]-3-phenylpropanamide
CID 115748700
2-anilino-N-(1-hydroxypropan-2-yl)acetamide
CID 60862778
2-[3-(2-aminophenyl)propanoylamino]-N-tert-butylpropanamide;hydrochloride
CID 120609736
(2S,3R)-2-[(2-anilinoacetyl)amino]-3-hydroxybutanoic acid
CID 104965238
2-anilino-N-(4-hydroxypentan-2-yl)acetamide
CID 113376266
2-[(2-anilinoacetyl)amino]-3,3-dimethylbutanamide;hydrochloride
CID 119778151
2-[[(2S)-2-amino-2-phenylacetyl]amino]-N-tert-butylpropanamide
CID 104898367
2-anilino-N-(1-methylsulfanylpropan-2-yl)acetamide
CID 115740490

Frequently Asked Questions

What is the IUPAC name of 2-[(2-anilinoacetyl)amino]-N-tert-butylpropanamide;hydrochloride?
The IUPAC name of 2-[(2-anilinoacetyl)amino]-N-tert-butylpropanamide;hydrochloride (CID 119748180) is 2-[(2-anilinoacetyl)amino]-N-tert-butylpropanamide;hydrochloride.
What is the SMILES notation for 2-[(2-anilinoacetyl)amino]-N-tert-butylpropanamide;hydrochloride?
The canonical SMILES for 2-[(2-anilinoacetyl)amino]-N-tert-butylpropanamide;hydrochloride is CC(NC(=O)CNc1ccccc1)C(=O)NC(C)(C)C.Cl.
What is the InChIKey of 2-[(2-anilinoacetyl)amino]-N-tert-butylpropanamide;hydrochloride?
The InChIKey is UFZAMIZAVCRNFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2.ClH/c1-11(14(20)18-15(2,3)4)17-13(19)10-16-12-8-6-5-7-9-12;/h5-9,11,16H,10H2,1-4H3,(H,17,19)(H,18,20);1H.
What are the key properties of 2-[(2-anilinoacetyl)amino]-N-tert-butylpropanamide;hydrochloride?
2-[(2-anilinoacetyl)amino]-N-tert-butylpropanamide;hydrochloride has a molecular weight of 313.83 g/mol, XLogP of 1.94, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-anilinoacetyl)amino]-N-tert-butylpropanamide;hydrochloride is sourced from PubChem (CID 119748180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).