(2R)-2-[benzyl-(2-phenylacetyl)amino]-N-propan-2-ylpropanamide

C21H26N2O2 — CID 100638766

IUPAC(2R)-2-[benzyl-(2-phenylacetyl)amino]-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)Cc1ccccc1
InChIInChI=1S/C21H26N2O2/c1-16(2)22-21(25)17(3)23(15-19-12-8-5-9-13-19)20(24)14-18-10-6-4-7-11-18/h4-13,16-17H,14-15H2,1-3H3,(H,22,25)/t17-/m1/s1
InChIKeyZMJXEXVYXXPOJD-QGZVFWFLSA-N
MW338.45 g/mol
LogP3.17
Rot. Bonds7

About (2R)-2-[benzyl-(2-phenylacetyl)amino]-N-propan-2-ylpropanamide

(2R)-2-[benzyl-(2-phenylacetyl)amino]-N-propan-2-ylpropanamide (PubChem CID 100638766) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is (2R)-2-[benzyl-(2-phenylacetyl)amino]-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name(2R)-2-[benzyl-(2-phenylacetyl)amino]-N-propan-2-ylpropanamide
PubChem CID100638766
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC Name(2R)-2-[benzyl-(2-phenylacetyl)amino]-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)Cc1ccccc1
InChIInChI=1S/C21H26N2O2/c1-16(2)22-21(25)17(3)23(15-19-12-8-5-9-13-19)20(24)14-18-10-6-4-7-11-18/h4-13,16-17H,14-15H2,1-3H3,(H,22,25)/t17-/m1/s1
InChIKeyZMJXEXVYXXPOJD-QGZVFWFLSA-N
XLogP3.17
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-[benzyl-[2-(4-methylphenyl)acetyl]amino]-N-propan-2-ylpropanamide
CID 100645911
(2S)-2-[(4-methylphenyl)methyl-(2-phenylacetyl)amino]-N-propan-2-ylpropanamide
CID 100663135
2-[benzyl-[2-(2-chlorophenyl)acetyl]amino]-N-propan-2-ylpropanamide
CID 132656010
N-benzyl-N-[1-oxo-1-(propan-2-ylamino)propan-2-yl]butanamide
CID 132649959
2-[benzyl-(2-phenylacetyl)amino]-N-(2-hydroxyethyl)propanamide
CID 133148954
(2S)-2-[(2-phenylacetyl)-(2-phenylethyl)amino]-N-propan-2-ylpropanamide
CID 100721031
2-[[2-(4-fluorophenyl)acetyl]-[(4-fluorophenyl)methyl]amino]-N-propan-2-ylpropanamide
CID 132656209
(2R)-2-[[2-(4-chlorophenyl)acetyl]-[(4-chlorophenyl)methyl]amino]-N-propan-2-ylpropanamide
CID 100680950
(2R)-2-[benzyl-[2-(2,6-dichlorophenyl)acetyl]amino]-N-propan-2-ylpropanamide
CID 100647671
2-[benzyl-[2-(2,5-dimethylphenyl)acetyl]amino]-N-propan-2-ylpropanamide
CID 132654863
2-[benzyl-(2-phenylacetyl)amino]-N-(3-methylbutyl)propanamide
CID 133148978
(2R)-2-[benzyl-[2-(4-methylphenyl)acetyl]amino]-N-[(2R)-butan-2-yl]propanamide
CID 100521800

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[benzyl-(2-phenylacetyl)amino]-N-propan-2-ylpropanamide?
The IUPAC name of (2R)-2-[benzyl-(2-phenylacetyl)amino]-N-propan-2-ylpropanamide (CID 100638766) is (2R)-2-[benzyl-(2-phenylacetyl)amino]-N-propan-2-ylpropanamide.
What is the SMILES notation for (2R)-2-[benzyl-(2-phenylacetyl)amino]-N-propan-2-ylpropanamide?
The canonical SMILES for (2R)-2-[benzyl-(2-phenylacetyl)amino]-N-propan-2-ylpropanamide is CC(C)NC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)Cc1ccccc1.
What is the InChIKey of (2R)-2-[benzyl-(2-phenylacetyl)amino]-N-propan-2-ylpropanamide?
The InChIKey is ZMJXEXVYXXPOJD-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-16(2)22-21(25)17(3)23(15-19-12-8-5-9-13-19)20(24)14-18-10-6-4-7-11-18/h4-13,16-17H,14-15H2,1-3H3,(H,22,25)/t17-/m1/s1.
What are the key properties of (2R)-2-[benzyl-(2-phenylacetyl)amino]-N-propan-2-ylpropanamide?
(2R)-2-[benzyl-(2-phenylacetyl)amino]-N-propan-2-ylpropanamide has a molecular weight of 338.45 g/mol, XLogP of 3.17, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[benzyl-(2-phenylacetyl)amino]-N-propan-2-ylpropanamide is sourced from PubChem (CID 100638766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).