N-(2,6-diethylphenyl)-2-[[(1S)-2-methyl-1-phenylpropyl]amino]acetamide

C22H30N2O — CID 9131674

IUPACN-(2,6-diethylphenyl)-2-[[(1S)-2-methyl-1-phenylpropyl]amino]acetamide
SMILESCCc1cccc(CC)c1NC(=O)CN[C@H](c1ccccc1)C(C)C
InChIInChI=1S/C22H30N2O/c1-5-17-13-10-14-18(6-2)22(17)24-20(25)15-23-21(16(3)4)19-11-8-7-9-12-19/h7-14,16,21,23H,5-6,15H2,1-4H3,(H,24,25)/t21-/m0/s1
InChIKeyHSPSZUNZSHSHIL-NRFANRHFSA-N
MW338.50 g/mol
LogP4.74
Rot. Bonds8

About N-(2,6-diethylphenyl)-2-[[(1S)-2-methyl-1-phenylpropyl]amino]acetamide

N-(2,6-diethylphenyl)-2-[[(1S)-2-methyl-1-phenylpropyl]amino]acetamide (PubChem CID 9131674) has the molecular formula C22H30N2O and a molecular weight of 338.50 g/mol. Its IUPAC name is N-(2,6-diethylphenyl)-2-[[(1S)-2-methyl-1-phenylpropyl]amino]acetamide.

Molecular Properties

Compound NameN-(2,6-diethylphenyl)-2-[[(1S)-2-methyl-1-phenylpropyl]amino]acetamide
PubChem CID9131674
Molecular FormulaC22H30N2O
Molecular Weight338.50 g/mol
Exact Mass338.24
IUPAC NameN-(2,6-diethylphenyl)-2-[[(1S)-2-methyl-1-phenylpropyl]amino]acetamide
SMILESCCc1cccc(CC)c1NC(=O)CN[C@H](c1ccccc1)C(C)C
InChIInChI=1S/C22H30N2O/c1-5-17-13-10-14-18(6-2)22(17)24-20(25)15-23-21(16(3)4)19-11-8-7-9-12-19/h7-14,16,21,23H,5-6,15H2,1-4H3,(H,24,25)/t21-/m0/s1
InChIKeyHSPSZUNZSHSHIL-NRFANRHFSA-N
XLogP4.74
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.50
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,6-diethylphenyl)-2-[[(1S)-1-(4-fluorophenyl)-2-methylpropyl]amino]acetamide
CID 9133410
N-(2,6-diethylphenyl)-2-[[(1R)-1-(4-fluorophenyl)-2-methylpropyl]amino]acetamide
CID 9133408
2-(benzhydrylamino)-N-(2,6-diethylphenyl)acetamide
CID 2620925
N-[2,6-di(propan-2-yl)phenyl]-2-[[(1S)-2-methyl-1-phenylpropyl]amino]acetamide
CID 9131955
N-(3-acetamidophenyl)-2-[(2-methyl-1-phenylpropyl)amino]acetamide
CID 86909136
N-(4-acetamidophenyl)-2-[[(1S)-2-methyl-1-phenylpropyl]amino]acetamide
CID 9131833
2-[[(1S)-2-methyl-1-phenylpropyl]amino]-N-naphthalen-1-ylacetamide
CID 9131594
2-[[(1R)-2-methyl-1-phenylpropyl]amino]-N-[(1R)-1-phenylethyl]acetamide
CID 9131711
N-(2,3-dichlorophenyl)-2-[[(1S)-2-methyl-1-phenylpropyl]amino]acetamide
CID 9131743
2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-N-(2,6-diethylphenyl)acetamide
CID 9330816
N-[2-(2-methylphenyl)ethyl]-2-[[(1R)-2-methyl-1-phenylpropyl]amino]acetamide
CID 9132988
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[[(1S)-1-(4-ethylphenyl)-2-methylpropyl]amino]acetamide
CID 8992499

Frequently Asked Questions

What is the IUPAC name of N-(2,6-diethylphenyl)-2-[[(1S)-2-methyl-1-phenylpropyl]amino]acetamide?
The IUPAC name of N-(2,6-diethylphenyl)-2-[[(1S)-2-methyl-1-phenylpropyl]amino]acetamide (CID 9131674) is N-(2,6-diethylphenyl)-2-[[(1S)-2-methyl-1-phenylpropyl]amino]acetamide.
What is the SMILES notation for N-(2,6-diethylphenyl)-2-[[(1S)-2-methyl-1-phenylpropyl]amino]acetamide?
The canonical SMILES for N-(2,6-diethylphenyl)-2-[[(1S)-2-methyl-1-phenylpropyl]amino]acetamide is CCc1cccc(CC)c1NC(=O)CN[C@H](c1ccccc1)C(C)C.
What is the InChIKey of N-(2,6-diethylphenyl)-2-[[(1S)-2-methyl-1-phenylpropyl]amino]acetamide?
The InChIKey is HSPSZUNZSHSHIL-NRFANRHFSA-N. The full InChI is InChI=1S/C22H30N2O/c1-5-17-13-10-14-18(6-2)22(17)24-20(25)15-23-21(16(3)4)19-11-8-7-9-12-19/h7-14,16,21,23H,5-6,15H2,1-4H3,(H,24,25)/t21-/m0/s1.
What are the key properties of N-(2,6-diethylphenyl)-2-[[(1S)-2-methyl-1-phenylpropyl]amino]acetamide?
N-(2,6-diethylphenyl)-2-[[(1S)-2-methyl-1-phenylpropyl]amino]acetamide has a molecular weight of 338.50 g/mol, XLogP of 4.74, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-diethylphenyl)-2-[[(1S)-2-methyl-1-phenylpropyl]amino]acetamide is sourced from PubChem (CID 9131674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).