N-benzyl-2-[[(1R)-1-(4-ethylphenyl)-2-methylpropyl]amino]acetamide

C21H28N2O — CID 8991910

IUPACN-benzyl-2-[[(1R)-1-(4-ethylphenyl)-2-methylpropyl]amino]acetamide
SMILESCCc1ccc([C@H](NCC(=O)NCc2ccccc2)C(C)C)cc1
InChIInChI=1S/C21H28N2O/c1-4-17-10-12-19(13-11-17)21(16(2)3)23-15-20(24)22-14-18-8-6-5-7-9-18/h5-13,16,21,23H,4,14-15H2,1-3H3,(H,22,24)/t21-/m1/s1
InChIKeyREBPDYJNYXKUAV-OAQYLSRUSA-N
MW324.47 g/mol
LogP3.85
Rot. Bonds8

About N-benzyl-2-[[(1R)-1-(4-ethylphenyl)-2-methylpropyl]amino]acetamide

N-benzyl-2-[[(1R)-1-(4-ethylphenyl)-2-methylpropyl]amino]acetamide (PubChem CID 8991910) has the molecular formula C21H28N2O and a molecular weight of 324.47 g/mol. Its IUPAC name is N-benzyl-2-[[(1R)-1-(4-ethylphenyl)-2-methylpropyl]amino]acetamide.

Molecular Properties

Compound NameN-benzyl-2-[[(1R)-1-(4-ethylphenyl)-2-methylpropyl]amino]acetamide
PubChem CID8991910
Molecular FormulaC21H28N2O
Molecular Weight324.47 g/mol
Exact Mass324.22
IUPAC NameN-benzyl-2-[[(1R)-1-(4-ethylphenyl)-2-methylpropyl]amino]acetamide
SMILESCCc1ccc([C@H](NCC(=O)NCc2ccccc2)C(C)C)cc1
InChIInChI=1S/C21H28N2O/c1-4-17-10-12-19(13-11-17)21(16(2)3)23-15-20(24)22-14-18-8-6-5-7-9-18/h5-13,16,21,23H,4,14-15H2,1-3H3,(H,22,24)/t21-/m1/s1
InChIKeyREBPDYJNYXKUAV-OAQYLSRUSA-N
XLogP3.85
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-2-[[(1R)-1-(4-fluorophenyl)-2-methylpropyl]amino]acetamide
CID 9133243
N-[(4-chlorophenyl)methyl]-2-[[(1R)-2-methyl-1-phenylpropyl]amino]acetamide
CID 9131540
N-[(4-methoxyphenyl)methyl]-2-[[(1R)-2-methyl-1-phenylpropyl]amino]acetamide
CID 9131857
2-[[(1S)-1-(4-ethylphenyl)-2-methylpropyl]amino]-N-[2-oxo-2-(propylamino)ethyl]acetamide
CID 8992755
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[[(1S)-1-(4-ethylphenyl)-2-methylpropyl]amino]acetamide
CID 8992499
N-[2-[[1-(4-ethylphenyl)-2-methylpropyl]amino]-2-oxoethyl]-2-phenylacetamide
CID 55437912
2-[[(1S)-1-(4-ethylphenyl)-2-methylpropyl]amino]-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 8992802
2-[[(1S)-1-(4-fluorophenyl)-2-methylpropyl]amino]-N-[(4-methoxyphenyl)methyl]acetamide
CID 9133571
2-[[1-(4-chlorophenyl)-2-methylpropyl]amino]-N-(2-phenylethyl)acetamide
CID 18137513
2-[[1-(4-ethylphenyl)-2-methylpropyl]amino]-N-[1-(furan-2-yl)ethyl]acetamide
CID 86911674
3-[[2-(benzylamino)-2-oxoethyl]amino]butanoic acid
CID 54881576
N-[[(2S)-butan-2-yl]carbamoyl]-2-[[(1S)-1-(4-ethylphenyl)-2-methylpropyl]amino]acetamide
CID 8992506

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[[(1R)-1-(4-ethylphenyl)-2-methylpropyl]amino]acetamide?
The IUPAC name of N-benzyl-2-[[(1R)-1-(4-ethylphenyl)-2-methylpropyl]amino]acetamide (CID 8991910) is N-benzyl-2-[[(1R)-1-(4-ethylphenyl)-2-methylpropyl]amino]acetamide.
What is the SMILES notation for N-benzyl-2-[[(1R)-1-(4-ethylphenyl)-2-methylpropyl]amino]acetamide?
The canonical SMILES for N-benzyl-2-[[(1R)-1-(4-ethylphenyl)-2-methylpropyl]amino]acetamide is CCc1ccc([C@H](NCC(=O)NCc2ccccc2)C(C)C)cc1.
What is the InChIKey of N-benzyl-2-[[(1R)-1-(4-ethylphenyl)-2-methylpropyl]amino]acetamide?
The InChIKey is REBPDYJNYXKUAV-OAQYLSRUSA-N. The full InChI is InChI=1S/C21H28N2O/c1-4-17-10-12-19(13-11-17)21(16(2)3)23-15-20(24)22-14-18-8-6-5-7-9-18/h5-13,16,21,23H,4,14-15H2,1-3H3,(H,22,24)/t21-/m1/s1.
What are the key properties of N-benzyl-2-[[(1R)-1-(4-ethylphenyl)-2-methylpropyl]amino]acetamide?
N-benzyl-2-[[(1R)-1-(4-ethylphenyl)-2-methylpropyl]amino]acetamide has a molecular weight of 324.47 g/mol, XLogP of 3.85, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[[(1R)-1-(4-ethylphenyl)-2-methylpropyl]amino]acetamide is sourced from PubChem (CID 8991910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).