ethyl-[2-(ethylamino)-2-oxoethyl]-[(2S)-1-oxo-1-(2-phenylanilino)propan-2-yl]azanium

C21H28N3O2+ — CID 9433216

IUPACethyl-[2-(ethylamino)-2-oxoethyl]-[(2S)-1-oxo-1-(2-phenylanilino)propan-2-yl]azanium
SMILESCCNC(=O)C[NH+](CC)[C@@H](C)C(=O)Nc1ccccc1-c1ccccc1
InChIInChI=1S/C21H27N3O2/c1-4-22-20(25)15-24(5-2)16(3)21(26)23-19-14-10-9-13-18(19)17-11-7-6-8-12-17/h6-14,16H,4-5,15H2,1-3H3,(H,22,25)(H,23,26)/p+1/t16-/m0/s1
InChIKeyNADTUFTXCKULFS-INIZCTEOSA-O
MW354.47 g/mol
LogP1.72
Rot. Bonds8

About ethyl-[2-(ethylamino)-2-oxoethyl]-[(2S)-1-oxo-1-(2-phenylanilino)propan-2-yl]azanium

ethyl-[2-(ethylamino)-2-oxoethyl]-[(2S)-1-oxo-1-(2-phenylanilino)propan-2-yl]azanium (PubChem CID 9433216) has the molecular formula C21H28N3O2+ and a molecular weight of 354.47 g/mol. Its IUPAC name is ethyl-[2-(ethylamino)-2-oxoethyl]-[(2S)-1-oxo-1-(2-phenylanilino)propan-2-yl]azanium.

Molecular Properties

Compound Nameethyl-[2-(ethylamino)-2-oxoethyl]-[(2S)-1-oxo-1-(2-phenylanilino)propan-2-yl]azanium
PubChem CID9433216
Molecular FormulaC21H28N3O2+
Molecular Weight354.47 g/mol
Exact Mass354.22
IUPAC Nameethyl-[2-(ethylamino)-2-oxoethyl]-[(2S)-1-oxo-1-(2-phenylanilino)propan-2-yl]azanium
SMILESCCNC(=O)C[NH+](CC)[C@@H](C)C(=O)Nc1ccccc1-c1ccccc1
InChIInChI=1S/C21H27N3O2/c1-4-22-20(25)15-24(5-2)16(3)21(26)23-19-14-10-9-13-18(19)17-11-7-6-8-12-17/h6-14,16H,4-5,15H2,1-3H3,(H,22,25)(H,23,26)/p+1/t16-/m0/s1
InChIKeyNADTUFTXCKULFS-INIZCTEOSA-O
XLogP1.72
TPSA62.64 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.47
LogP ≤ 51.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(tert-butylamino)-2-oxoethyl]-methyl-[(2R)-1-oxo-1-(2-phenylanilino)propan-2-yl]azanium
CID 8767219
ethyl-[2-(ethylamino)-2-oxoethyl]-[(2S)-1-(N-methylanilino)-1-oxopropan-2-yl]azanium
CID 9433236
ethyl-[2-(ethylamino)-2-oxoethyl]-[(2S)-1-oxo-1-[4-(trifluoromethyl)anilino]propan-2-yl]azanium
CID 9433290
(2R)-2-phenyl-N-(2-phenylphenyl)butanamide
CID 1328236
2-methylsulfanyl-N-(2-phenylphenyl)propanamide
CID 43077390
2-butylsulfanyl-N-(2-phenylphenyl)propanamide
CID 112781235
[2-(4-acetamidoanilino)-2-oxoethyl]-[(2R)-1-(2-cyanoanilino)-1-oxopropan-2-yl]-ethylazanium
CID 8779651
(2S)-2-acetamido-N-(2-phenylphenyl)propanamide
CID 95234854
(2S)-2-amino-N-(2-phenylphenyl)hexanamide
CID 103830910
N-(2-phenylphenyl)acetamide;propan-1-ol
CID 175030859
3-oxo-3-(2-phenylanilino)propanoic acid
CID 62230897
2-(1,3-dioxoisoindol-2-yl)-N-(2-phenylphenyl)propanamide
CID 16546107

Frequently Asked Questions

What is the IUPAC name of ethyl-[2-(ethylamino)-2-oxoethyl]-[(2S)-1-oxo-1-(2-phenylanilino)propan-2-yl]azanium?
The IUPAC name of ethyl-[2-(ethylamino)-2-oxoethyl]-[(2S)-1-oxo-1-(2-phenylanilino)propan-2-yl]azanium (CID 9433216) is ethyl-[2-(ethylamino)-2-oxoethyl]-[(2S)-1-oxo-1-(2-phenylanilino)propan-2-yl]azanium.
What is the SMILES notation for ethyl-[2-(ethylamino)-2-oxoethyl]-[(2S)-1-oxo-1-(2-phenylanilino)propan-2-yl]azanium?
The canonical SMILES for ethyl-[2-(ethylamino)-2-oxoethyl]-[(2S)-1-oxo-1-(2-phenylanilino)propan-2-yl]azanium is CCNC(=O)C[NH+](CC)[C@@H](C)C(=O)Nc1ccccc1-c1ccccc1.
What is the InChIKey of ethyl-[2-(ethylamino)-2-oxoethyl]-[(2S)-1-oxo-1-(2-phenylanilino)propan-2-yl]azanium?
The InChIKey is NADTUFTXCKULFS-INIZCTEOSA-O. The full InChI is InChI=1S/C21H27N3O2/c1-4-22-20(25)15-24(5-2)16(3)21(26)23-19-14-10-9-13-18(19)17-11-7-6-8-12-17/h6-14,16H,4-5,15H2,1-3H3,(H,22,25)(H,23,26)/p+1/t16-/m0/s1.
What are the key properties of ethyl-[2-(ethylamino)-2-oxoethyl]-[(2S)-1-oxo-1-(2-phenylanilino)propan-2-yl]azanium?
ethyl-[2-(ethylamino)-2-oxoethyl]-[(2S)-1-oxo-1-(2-phenylanilino)propan-2-yl]azanium has a molecular weight of 354.47 g/mol, XLogP of 1.72, 8 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-[2-(ethylamino)-2-oxoethyl]-[(2S)-1-oxo-1-(2-phenylanilino)propan-2-yl]azanium is sourced from PubChem (CID 9433216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).