(2S)-N-(ethylcarbamoyl)-2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-2-phenylacetamide

C20H22F3N3O2 — CID 8595597

IUPAC(2S)-N-(ethylcarbamoyl)-2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-2-phenylacetamide
SMILESCCNC(=O)NC(=O)[C@H](c1ccccc1)N(C)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C20H22F3N3O2/c1-3-24-19(28)25-18(27)17(15-7-5-4-6-8-15)26(2)13-14-9-11-16(12-10-14)20(21,22)23/h4-12,17H,3,13H2,1-2H3,(H2,24,25,27,28)/t17-/m0/s1
InChIKeyNWQCMERTBJYHQB-KRWDZBQOSA-N
MW393.41 g/mol
LogP3.72
Rot. Bonds6

About (2S)-N-(ethylcarbamoyl)-2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-2-phenylacetamide

(2S)-N-(ethylcarbamoyl)-2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-2-phenylacetamide (PubChem CID 8595597) has the molecular formula C20H22F3N3O2 and a molecular weight of 393.41 g/mol. Its IUPAC name is (2S)-N-(ethylcarbamoyl)-2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-2-phenylacetamide.

Molecular Properties

Compound Name(2S)-N-(ethylcarbamoyl)-2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-2-phenylacetamide
PubChem CID8595597
Molecular FormulaC20H22F3N3O2
Molecular Weight393.41 g/mol
Exact Mass393.17
IUPAC Name(2S)-N-(ethylcarbamoyl)-2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-2-phenylacetamide
SMILESCCNC(=O)NC(=O)[C@H](c1ccccc1)N(C)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C20H22F3N3O2/c1-3-24-19(28)25-18(27)17(15-7-5-4-6-8-15)26(2)13-14-9-11-16(12-10-14)20(21,22)23/h4-12,17H,3,13H2,1-2H3,(H2,24,25,27,28)/t17-/m0/s1
InChIKeyNWQCMERTBJYHQB-KRWDZBQOSA-N
XLogP3.72
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.41
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-fluorophenyl)methyl-methylamino]-N-(methylcarbamoyl)-2-phenylacetamide
CID 51167401
N-methyl-4-[[methyl-[(1S)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl]amino]methyl]benzamide
CID 9123829
(2S)-2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]-N-(ethylcarbamoyl)-2-phenylacetamide
CID 8694894
(2R)-N-(methylcarbamoyl)-2-[methyl-[(4-methylphenyl)methyl]amino]-2-phenylacetamide
CID 8517511
2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-N-(methylcarbamoyl)-2-phenylacetamide
CID 51168376
N-(ethylcarbamoyl)-2-[methyl-[(4-methylphenyl)methyl]amino]propanamide
CID 46614554
(2R)-N-(ethylcarbamoyl)-2-[(2-methoxy-5-methylphenyl)methyl-methylamino]-2-phenylacetamide
CID 8805645
(2R)-2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-N-(ethylcarbamoyl)-2-phenylacetamide
CID 8789263
(2R)-N-(ethylcarbamoyl)-2-phenyl-2-[3-(trifluoromethyl)anilino]acetamide
CID 40794821
N-(benzylcarbamoyl)-2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]acetamide
CID 27242893
N-[2-(dimethylamino)-2-phenylethyl]-2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]acetamide
CID 112800287
2-phenyl-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide
CID 102432449

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(ethylcarbamoyl)-2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-2-phenylacetamide?
The IUPAC name of (2S)-N-(ethylcarbamoyl)-2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-2-phenylacetamide (CID 8595597) is (2S)-N-(ethylcarbamoyl)-2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-2-phenylacetamide.
What is the SMILES notation for (2S)-N-(ethylcarbamoyl)-2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-2-phenylacetamide?
The canonical SMILES for (2S)-N-(ethylcarbamoyl)-2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-2-phenylacetamide is CCNC(=O)NC(=O)[C@H](c1ccccc1)N(C)Cc1ccc(C(F)(F)F)cc1.
What is the InChIKey of (2S)-N-(ethylcarbamoyl)-2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-2-phenylacetamide?
The InChIKey is NWQCMERTBJYHQB-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H22F3N3O2/c1-3-24-19(28)25-18(27)17(15-7-5-4-6-8-15)26(2)13-14-9-11-16(12-10-14)20(21,22)23/h4-12,17H,3,13H2,1-2H3,(H2,24,25,27,28)/t17-/m0/s1.
What are the key properties of (2S)-N-(ethylcarbamoyl)-2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-2-phenylacetamide?
(2S)-N-(ethylcarbamoyl)-2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-2-phenylacetamide has a molecular weight of 393.41 g/mol, XLogP of 3.72, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(ethylcarbamoyl)-2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-2-phenylacetamide is sourced from PubChem (CID 8595597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).