N-(2-amino-2-phenylethyl)-3-methyl-2-[(2-phenylacetyl)amino]butanamide;hydrochloride

C21H28ClN3O2 — CID 119527674

IUPACN-(2-amino-2-phenylethyl)-3-methyl-2-[(2-phenylacetyl)amino]butanamide;hydrochloride
SMILESCC(C)C(NC(=O)Cc1ccccc1)C(=O)NCC(N)c1ccccc1.Cl
InChIInChI=1S/C21H27N3O2.ClH/c1-15(2)20(24-19(25)13-16-9-5-3-6-10-16)21(26)23-14-18(22)17-11-7-4-8-12-17;/h3-12,15,18,20H,13-14,22H2,1-2H3,(H,23,26)(H,24,25);1H
InChIKeyYEMJQZBAMZVAPB-UHFFFAOYSA-N
MW389.93 g/mol
LogP2.61
Rot. Bonds8

About N-(2-amino-2-phenylethyl)-3-methyl-2-[(2-phenylacetyl)amino]butanamide;hydrochloride

N-(2-amino-2-phenylethyl)-3-methyl-2-[(2-phenylacetyl)amino]butanamide;hydrochloride (PubChem CID 119527674) has the molecular formula C21H28ClN3O2 and a molecular weight of 389.93 g/mol. Its IUPAC name is N-(2-amino-2-phenylethyl)-3-methyl-2-[(2-phenylacetyl)amino]butanamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-2-phenylethyl)-3-methyl-2-[(2-phenylacetyl)amino]butanamide;hydrochloride
PubChem CID119527674
Molecular FormulaC21H28ClN3O2
Molecular Weight389.93 g/mol
Exact Mass389.19
IUPAC NameN-(2-amino-2-phenylethyl)-3-methyl-2-[(2-phenylacetyl)amino]butanamide;hydrochloride
SMILESCC(C)C(NC(=O)Cc1ccccc1)C(=O)NCC(N)c1ccccc1.Cl
InChIInChI=1S/C21H27N3O2.ClH/c1-15(2)20(24-19(25)13-16-9-5-3-6-10-16)21(26)23-14-18(22)17-11-7-4-8-12-17;/h3-12,15,18,20H,13-14,22H2,1-2H3,(H,23,26)(H,24,25);1H
InChIKeyYEMJQZBAMZVAPB-UHFFFAOYSA-N
XLogP2.61
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.93
LogP ≤ 52.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-aminoethyl)-3-methyl-2-[(2-phenylacetyl)amino]butanamide;hydrochloride
CID 119382456
3-methyl-N-[2-(methylamino)propyl]-2-[(2-phenylacetyl)amino]butanamide
CID 120829738
N-[1-[(2-amino-2-phenylethyl)amino]-3-methyl-1-oxobutan-2-yl]-4-chlorobenzamide;hydrochloride
CID 119529498
3-methyl-2-[(2-phenylacetyl)amino]-N-(2-phenyl-2-pyrrolidin-1-ylethyl)butanamide
CID 55336268
N-[2-(ethylamino)-2-oxoethyl]-3-methyl-2-[(2-phenylacetyl)amino]butanamide
CID 17471911
(2R)-N-[(2R)-2-[cyclopropyl(methyl)amino]propyl]-3-methyl-2-[(2-phenylacetyl)amino]butanamide
CID 94733041
3-methyl-N-[2-oxo-2-(propylamino)ethyl]-2-[(2-phenylacetyl)amino]butanamide
CID 84941976
N-[(2S)-2-amino-2-phenylethyl]propanamide
CID 95015221
N-(2-amino-2-phenylethyl)-3,4-dimethylpentanamide;hydrochloride
CID 119529641
[2-oxo-2-[[(2S)-2-phenylpropyl]amino]ethyl] (2S)-3-methyl-2-[(2-phenylacetyl)amino]butanoate
CID 7573226
3-methyl-N-(4-methylphenyl)-2-[(2-phenylacetyl)amino]butanamide
CID 71534500
(2S)-2-amino-N-(2-amino-2-phenylethyl)-3,3-dimethylbutanamide
CID 122080430

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-phenylethyl)-3-methyl-2-[(2-phenylacetyl)amino]butanamide;hydrochloride?
The IUPAC name of N-(2-amino-2-phenylethyl)-3-methyl-2-[(2-phenylacetyl)amino]butanamide;hydrochloride (CID 119527674) is N-(2-amino-2-phenylethyl)-3-methyl-2-[(2-phenylacetyl)amino]butanamide;hydrochloride.
What is the SMILES notation for N-(2-amino-2-phenylethyl)-3-methyl-2-[(2-phenylacetyl)amino]butanamide;hydrochloride?
The canonical SMILES for N-(2-amino-2-phenylethyl)-3-methyl-2-[(2-phenylacetyl)amino]butanamide;hydrochloride is CC(C)C(NC(=O)Cc1ccccc1)C(=O)NCC(N)c1ccccc1.Cl.
What is the InChIKey of N-(2-amino-2-phenylethyl)-3-methyl-2-[(2-phenylacetyl)amino]butanamide;hydrochloride?
The InChIKey is YEMJQZBAMZVAPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2.ClH/c1-15(2)20(24-19(25)13-16-9-5-3-6-10-16)21(26)23-14-18(22)17-11-7-4-8-12-17;/h3-12,15,18,20H,13-14,22H2,1-2H3,(H,23,26)(H,24,25);1H.
What are the key properties of N-(2-amino-2-phenylethyl)-3-methyl-2-[(2-phenylacetyl)amino]butanamide;hydrochloride?
N-(2-amino-2-phenylethyl)-3-methyl-2-[(2-phenylacetyl)amino]butanamide;hydrochloride has a molecular weight of 389.93 g/mol, XLogP of 2.61, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-phenylethyl)-3-methyl-2-[(2-phenylacetyl)amino]butanamide;hydrochloride is sourced from PubChem (CID 119527674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).