(2R)-2-[benzyl(propanoyl)amino]-N-(2-methylpropyl)-3-phenylpropanamide

C23H30N2O2 — CID 100741850

IUPAC(2R)-2-[benzyl(propanoyl)amino]-N-(2-methylpropyl)-3-phenylpropanamide
SMILESCCC(=O)N(Cc1ccccc1)[C@H](Cc1ccccc1)C(=O)NCC(C)C
InChIInChI=1S/C23H30N2O2/c1-4-22(26)25(17-20-13-9-6-10-14-20)21(23(27)24-16-18(2)3)15-19-11-7-5-8-12-19/h5-14,18,21H,4,15-17H2,1-3H3,(H,24,27)/t21-/m1/s1
InChIKeyLXMLMUNEMZOIND-OAQYLSRUSA-N
MW366.51 g/mol
LogP3.81
Rot. Bonds9

About (2R)-2-[benzyl(propanoyl)amino]-N-(2-methylpropyl)-3-phenylpropanamide

(2R)-2-[benzyl(propanoyl)amino]-N-(2-methylpropyl)-3-phenylpropanamide (PubChem CID 100741850) has the molecular formula C23H30N2O2 and a molecular weight of 366.51 g/mol. Its IUPAC name is (2R)-2-[benzyl(propanoyl)amino]-N-(2-methylpropyl)-3-phenylpropanamide.

Molecular Properties

Compound Name(2R)-2-[benzyl(propanoyl)amino]-N-(2-methylpropyl)-3-phenylpropanamide
PubChem CID100741850
Molecular FormulaC23H30N2O2
Molecular Weight366.51 g/mol
Exact Mass366.23
IUPAC Name(2R)-2-[benzyl(propanoyl)amino]-N-(2-methylpropyl)-3-phenylpropanamide
SMILESCCC(=O)N(Cc1ccccc1)[C@H](Cc1ccccc1)C(=O)NCC(C)C
InChIInChI=1S/C23H30N2O2/c1-4-22(26)25(17-20-13-9-6-10-14-20)21(23(27)24-16-18(2)3)15-19-11-7-5-8-12-19/h5-14,18,21H,4,15-17H2,1-3H3,(H,24,27)/t21-/m1/s1
InChIKeyLXMLMUNEMZOIND-OAQYLSRUSA-N
XLogP3.81
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-N-[(2S)-1-(2-methylpropylamino)-1-oxo-3-phenylpropan-2-yl]butanamide
CID 100741860
2-[(2,6-dichlorophenyl)methyl-propanoylamino]-N-(2-methylpropyl)-3-phenylpropanamide
CID 133174583
N-[(4-fluorophenyl)methyl]-N-[1-(2-methylpropylamino)-1-oxo-3-phenylpropan-2-yl]butanamide
CID 133172881
2-[(2,4-dichlorophenyl)methyl-propanoylamino]-N-(2-methylpropyl)-3-phenylpropanamide
CID 133173889
(2S)-N-butyl-2-[(4-methylphenyl)methyl-propanoylamino]-3-phenylpropanamide
CID 100606085
2-[(4-fluorophenyl)methyl-propanoylamino]-3-phenyl-N-(2-phenylethyl)propanamide
CID 133215067
2-[(4-bromophenyl)methyl-(3,3-diphenylpropanoyl)amino]-N-(2-methylpropyl)-3-phenylpropanamide
CID 133173494
(2R)-2-[benzyl-[3-(2-chlorophenyl)propanoyl]amino]-N-(2-methylpropyl)-3-phenylpropanamide
CID 100741353
(2R)-2-[(3-methylphenyl)methyl-(2-phenylacetyl)amino]-N-(2-methylpropyl)-3-phenylpropanamide
CID 100745901
2-[(4-fluorophenyl)methyl-propanoylamino]-3-phenyl-N-propan-2-ylpropanamide
CID 133257260
(2R)-2-[benzyl-[2-(N-methylsulfonylanilino)acetyl]amino]-N-(2-methylpropyl)-3-phenylpropanamide
CID 100738454
2-[benzyl(3-naphthalen-1-ylpropanoyl)amino]-N-(2-methylpropyl)-3-phenylpropanamide
CID 133212215

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[benzyl(propanoyl)amino]-N-(2-methylpropyl)-3-phenylpropanamide?
The IUPAC name of (2R)-2-[benzyl(propanoyl)amino]-N-(2-methylpropyl)-3-phenylpropanamide (CID 100741850) is (2R)-2-[benzyl(propanoyl)amino]-N-(2-methylpropyl)-3-phenylpropanamide.
What is the SMILES notation for (2R)-2-[benzyl(propanoyl)amino]-N-(2-methylpropyl)-3-phenylpropanamide?
The canonical SMILES for (2R)-2-[benzyl(propanoyl)amino]-N-(2-methylpropyl)-3-phenylpropanamide is CCC(=O)N(Cc1ccccc1)[C@H](Cc1ccccc1)C(=O)NCC(C)C.
What is the InChIKey of (2R)-2-[benzyl(propanoyl)amino]-N-(2-methylpropyl)-3-phenylpropanamide?
The InChIKey is LXMLMUNEMZOIND-OAQYLSRUSA-N. The full InChI is InChI=1S/C23H30N2O2/c1-4-22(26)25(17-20-13-9-6-10-14-20)21(23(27)24-16-18(2)3)15-19-11-7-5-8-12-19/h5-14,18,21H,4,15-17H2,1-3H3,(H,24,27)/t21-/m1/s1.
What are the key properties of (2R)-2-[benzyl(propanoyl)amino]-N-(2-methylpropyl)-3-phenylpropanamide?
(2R)-2-[benzyl(propanoyl)amino]-N-(2-methylpropyl)-3-phenylpropanamide has a molecular weight of 366.51 g/mol, XLogP of 3.81, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[benzyl(propanoyl)amino]-N-(2-methylpropyl)-3-phenylpropanamide is sourced from PubChem (CID 100741850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).