(2R)-2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-N-(ethylcarbamoyl)-2-phenylacetamide

C22H28N4O3 — CID 8789263

IUPAC(2R)-2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-N-(ethylcarbamoyl)-2-phenylacetamide
SMILESCCNC(=O)NC(=O)[C@@H](c1ccccc1)N(C)CC(=O)Nc1ccccc1CC
InChIInChI=1S/C22H28N4O3/c1-4-16-11-9-10-14-18(16)24-19(27)15-26(3)20(17-12-7-6-8-13-17)21(28)25-22(29)23-5-2/h6-14,20H,4-5,15H2,1-3H3,(H,24,27)(H2,23,25,28,29)/t20-/m1/s1
InChIKeyFTVCAESXOSPQFG-HXUWFJFHSA-N
MW396.49 g/mol
LogP2.71
Rot. Bonds8

About (2R)-2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-N-(ethylcarbamoyl)-2-phenylacetamide

(2R)-2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-N-(ethylcarbamoyl)-2-phenylacetamide (PubChem CID 8789263) has the molecular formula C22H28N4O3 and a molecular weight of 396.49 g/mol. Its IUPAC name is (2R)-2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-N-(ethylcarbamoyl)-2-phenylacetamide.

Molecular Properties

Compound Name(2R)-2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-N-(ethylcarbamoyl)-2-phenylacetamide
PubChem CID8789263
Molecular FormulaC22H28N4O3
Molecular Weight396.49 g/mol
Exact Mass396.22
IUPAC Name(2R)-2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-N-(ethylcarbamoyl)-2-phenylacetamide
SMILESCCNC(=O)NC(=O)[C@@H](c1ccccc1)N(C)CC(=O)Nc1ccccc1CC
InChIInChI=1S/C22H28N4O3/c1-4-16-11-9-10-14-18(16)24-19(27)15-26(3)20(17-12-7-6-8-13-17)21(28)25-22(29)23-5-2/h6-14,20H,4-5,15H2,1-3H3,(H,24,27)(H2,23,25,28,29)/t20-/m1/s1
InChIKeyFTVCAESXOSPQFG-HXUWFJFHSA-N
XLogP2.71
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 52.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-N-(ethylcarbamoyl)propanamide
CID 51167467
(2S)-2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]-N-(ethylcarbamoyl)-2-phenylacetamide
CID 8694894
N-(methylcarbamoyl)-2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]-2-phenylacetamide
CID 55351737
N-(2-ethylphenyl)-2-[[(1S)-2-(1H-indol-3-yl)-2-oxo-1-phenylethyl]-methylamino]acetamide
CID 9356635
(2S)-N-(methylcarbamoyl)-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-2-phenylacetamide
CID 8912953
(2S)-N-(ethylcarbamoyl)-2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-2-phenylacetamide
CID 8595597
(2R)-N-(ethylcarbamoyl)-2-[(2-methoxy-5-methylphenyl)methyl-methylamino]-2-phenylacetamide
CID 8805645
(2S)-2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-(methylcarbamoyl)-2-phenylacetamide
CID 8767355
N-benzyl-2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]acetamide
CID 18083031
N-(2-ethylphenyl)-2-[[2-(2-methoxyethylcarbamoylamino)-2-oxoethyl]-methylamino]acetamide
CID 46562912
N-[2-(aminomethyl)phenyl]-2-[methyl(pentan-3-yl)amino]acetamide
CID 43570704
N,N'-bis(2-ethylphenyl)propanediamide
CID 3881876

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-N-(ethylcarbamoyl)-2-phenylacetamide?
The IUPAC name of (2R)-2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-N-(ethylcarbamoyl)-2-phenylacetamide (CID 8789263) is (2R)-2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-N-(ethylcarbamoyl)-2-phenylacetamide.
What is the SMILES notation for (2R)-2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-N-(ethylcarbamoyl)-2-phenylacetamide?
The canonical SMILES for (2R)-2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-N-(ethylcarbamoyl)-2-phenylacetamide is CCNC(=O)NC(=O)[C@@H](c1ccccc1)N(C)CC(=O)Nc1ccccc1CC.
What is the InChIKey of (2R)-2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-N-(ethylcarbamoyl)-2-phenylacetamide?
The InChIKey is FTVCAESXOSPQFG-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H28N4O3/c1-4-16-11-9-10-14-18(16)24-19(27)15-26(3)20(17-12-7-6-8-13-17)21(28)25-22(29)23-5-2/h6-14,20H,4-5,15H2,1-3H3,(H,24,27)(H2,23,25,28,29)/t20-/m1/s1.
What are the key properties of (2R)-2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-N-(ethylcarbamoyl)-2-phenylacetamide?
(2R)-2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-N-(ethylcarbamoyl)-2-phenylacetamide has a molecular weight of 396.49 g/mol, XLogP of 2.71, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-N-(ethylcarbamoyl)-2-phenylacetamide is sourced from PubChem (CID 8789263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).