N-(4-acetylphenyl)-2-[[(2S)-2-(dimethylamino)-2-phenylethyl]amino]acetamide

C20H25N3O2 — CID 2108162

IUPACN-(4-acetylphenyl)-2-[[(2S)-2-(dimethylamino)-2-phenylethyl]amino]acetamide
SMILESCC(=O)c1ccc(NC(=O)CNC[C@H](c2ccccc2)N(C)C)cc1
InChIInChI=1S/C20H25N3O2/c1-15(24)16-9-11-18(12-10-16)22-20(25)14-21-13-19(23(2)3)17-7-5-4-6-8-17/h4-12,19,21H,13-14H2,1-3H3,(H,22,25)/t19-/m1/s1
InChIKeyGUJKJEIBMNQZDX-LJQANCHMSA-N
MW339.44 g/mol
LogP2.72
Rot. Bonds8

About N-(4-acetylphenyl)-2-[[(2S)-2-(dimethylamino)-2-phenylethyl]amino]acetamide

N-(4-acetylphenyl)-2-[[(2S)-2-(dimethylamino)-2-phenylethyl]amino]acetamide (PubChem CID 2108162) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is N-(4-acetylphenyl)-2-[[(2S)-2-(dimethylamino)-2-phenylethyl]amino]acetamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-2-[[(2S)-2-(dimethylamino)-2-phenylethyl]amino]acetamide
PubChem CID2108162
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC NameN-(4-acetylphenyl)-2-[[(2S)-2-(dimethylamino)-2-phenylethyl]amino]acetamide
SMILESCC(=O)c1ccc(NC(=O)CNC[C@H](c2ccccc2)N(C)C)cc1
InChIInChI=1S/C20H25N3O2/c1-15(24)16-9-11-18(12-10-16)22-20(25)14-21-13-19(23(2)3)17-7-5-4-6-8-17/h4-12,19,21H,13-14H2,1-3H3,(H,22,25)/t19-/m1/s1
InChIKeyGUJKJEIBMNQZDX-LJQANCHMSA-N
XLogP2.72
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-[[2-(dimethylamino)-2-phenylethyl]amino]acetyl]amino]-N-(4-methoxyphenyl)benzamide
CID 3649958
4-acetyl-N-[2-(dimethylamino)-2-phenylethyl]benzenesulfonamide
CID 4883799
N-(2-benzoyl-4-chlorophenyl)-2-[[(2S)-2-(dimethylamino)-2-phenylethyl]amino]acetamide
CID 2101756
N-(4-chlorophenyl)-2-[(2-hydroxy-2-phenylethyl)amino]acetamide
CID 43389783
N-[2-(dimethylamino)-2-phenylethyl]-2-(propylamino)acetamide
CID 60687431
ethyl 2-[[2-[[2-(dimethylamino)-2-phenylethyl]amino]acetyl]amino]-4,5-dimethylthiophene-3-carboxylate
CID 3954839
N-(4-acetylphenyl)-2-[[5-[1-(dimethylamino)propyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 4240117
2-[[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]amino]-1-phenylethanone
CID 110825230
N-(1-phenylethyl)-4-[[2-(prop-2-enylamino)acetyl]amino]benzamide
CID 54820620
N-[4-[acetyl(methyl)amino]phenyl]-2-(1-phenylethylamino)acetamide
CID 54814802
N-(4-acetylphenyl)-2-[2-(2-fluorophenyl)ethylamino]acetamide
CID 109000209
2-[[2-(4-acetylanilino)-2-oxoethyl]-methylamino]acetic acid
CID 43442578

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-2-[[(2S)-2-(dimethylamino)-2-phenylethyl]amino]acetamide?
The IUPAC name of N-(4-acetylphenyl)-2-[[(2S)-2-(dimethylamino)-2-phenylethyl]amino]acetamide (CID 2108162) is N-(4-acetylphenyl)-2-[[(2S)-2-(dimethylamino)-2-phenylethyl]amino]acetamide.
What is the SMILES notation for N-(4-acetylphenyl)-2-[[(2S)-2-(dimethylamino)-2-phenylethyl]amino]acetamide?
The canonical SMILES for N-(4-acetylphenyl)-2-[[(2S)-2-(dimethylamino)-2-phenylethyl]amino]acetamide is CC(=O)c1ccc(NC(=O)CNC[C@H](c2ccccc2)N(C)C)cc1.
What is the InChIKey of N-(4-acetylphenyl)-2-[[(2S)-2-(dimethylamino)-2-phenylethyl]amino]acetamide?
The InChIKey is GUJKJEIBMNQZDX-LJQANCHMSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-15(24)16-9-11-18(12-10-16)22-20(25)14-21-13-19(23(2)3)17-7-5-4-6-8-17/h4-12,19,21H,13-14H2,1-3H3,(H,22,25)/t19-/m1/s1.
What are the key properties of N-(4-acetylphenyl)-2-[[(2S)-2-(dimethylamino)-2-phenylethyl]amino]acetamide?
N-(4-acetylphenyl)-2-[[(2S)-2-(dimethylamino)-2-phenylethyl]amino]acetamide has a molecular weight of 339.44 g/mol, XLogP of 2.72, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-2-[[(2S)-2-(dimethylamino)-2-phenylethyl]amino]acetamide is sourced from PubChem (CID 2108162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).