[2-(diethylamino)-2-oxoethyl]-methyl-[[4-(phenylcarbamoyl)phenyl]methyl]azanium

C21H28N3O2+ — CID 8692818

IUPAC[2-(diethylamino)-2-oxoethyl]-methyl-[[4-(phenylcarbamoyl)phenyl]methyl]azanium
SMILESCCN(CC)C(=O)C[NH+](C)Cc1ccc(C(=O)Nc2ccccc2)cc1
InChIInChI=1S/C21H27N3O2/c1-4-24(5-2)20(25)16-23(3)15-17-11-13-18(14-12-17)21(26)22-19-9-7-6-8-10-19/h6-14H,4-5,15-16H2,1-3H3,(H,22,26)/p+1
InChIKeyKGSWLGGSFIFPTF-UHFFFAOYSA-O
MW354.47 g/mol
LogP1.82
Rot. Bonds8

About [2-(diethylamino)-2-oxoethyl]-methyl-[[4-(phenylcarbamoyl)phenyl]methyl]azanium

[2-(diethylamino)-2-oxoethyl]-methyl-[[4-(phenylcarbamoyl)phenyl]methyl]azanium (PubChem CID 8692818) has the molecular formula C21H28N3O2+ and a molecular weight of 354.47 g/mol. Its IUPAC name is [2-(diethylamino)-2-oxoethyl]-methyl-[[4-(phenylcarbamoyl)phenyl]methyl]azanium.

Molecular Properties

Compound Name[2-(diethylamino)-2-oxoethyl]-methyl-[[4-(phenylcarbamoyl)phenyl]methyl]azanium
PubChem CID8692818
Molecular FormulaC21H28N3O2+
Molecular Weight354.47 g/mol
Exact Mass354.22
IUPAC Name[2-(diethylamino)-2-oxoethyl]-methyl-[[4-(phenylcarbamoyl)phenyl]methyl]azanium
SMILESCCN(CC)C(=O)C[NH+](C)Cc1ccc(C(=O)Nc2ccccc2)cc1
InChIInChI=1S/C21H27N3O2/c1-4-24(5-2)20(25)16-23(3)15-17-11-13-18(14-12-17)21(26)22-19-9-7-6-8-10-19/h6-14H,4-5,15-16H2,1-3H3,(H,22,26)/p+1
InChIKeyKGSWLGGSFIFPTF-UHFFFAOYSA-O
XLogP1.82
TPSA53.85 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.47
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

methyl-[2-oxo-2-(propan-2-ylamino)ethyl]-[[4-(phenylcarbamoyl)phenyl]methyl]azanium
CID 9050173
4-[[[2-(diethylamino)-2-oxoethyl]-methylamino]methyl]-N-phenylbenzamide
CID 8692819
benzyl-[2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl]-methylazanium
CID 8900908
[2-(diethylamino)-2-oxoethyl]-[2-[4-[(4-methoxyphenyl)carbamoyl]anilino]-2-oxoethyl]-methylazanium
CID 8692370
(5-chlorothiophen-2-yl)methyl-methyl-[[4-(phenylcarbamoyl)phenyl]methyl]azanium
CID 8556053
(2-anilino-2-oxoethyl)-[(4-tert-butylphenyl)methyl]-methylazanium
CID 8908661
N-(4-ethylphenyl)benzamide
CID 774063
[2-(diethylamino)-2-oxoethyl]-methyl-[2-oxo-2-(4-phenylmethoxyanilino)ethyl]azanium
CID 8692076
methyl-[[4-(methylcarbamoyl)phenyl]methyl]-[2-oxo-2-(4-phenoxyanilino)ethyl]azanium
CID 9003305
[2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl]-methyl-[(4-methylsulfanylphenyl)methyl]azanium
CID 9198941
4-N-ethyl-1-N,4-N-diphenylbenzene-1,4-dicarboxamide
CID 109049216
N-(3-benzamidophenyl)-4-ethylbenzamide
CID 17102471

Frequently Asked Questions

What is the IUPAC name of [2-(diethylamino)-2-oxoethyl]-methyl-[[4-(phenylcarbamoyl)phenyl]methyl]azanium?
The IUPAC name of [2-(diethylamino)-2-oxoethyl]-methyl-[[4-(phenylcarbamoyl)phenyl]methyl]azanium (CID 8692818) is [2-(diethylamino)-2-oxoethyl]-methyl-[[4-(phenylcarbamoyl)phenyl]methyl]azanium.
What is the SMILES notation for [2-(diethylamino)-2-oxoethyl]-methyl-[[4-(phenylcarbamoyl)phenyl]methyl]azanium?
The canonical SMILES for [2-(diethylamino)-2-oxoethyl]-methyl-[[4-(phenylcarbamoyl)phenyl]methyl]azanium is CCN(CC)C(=O)C[NH+](C)Cc1ccc(C(=O)Nc2ccccc2)cc1.
What is the InChIKey of [2-(diethylamino)-2-oxoethyl]-methyl-[[4-(phenylcarbamoyl)phenyl]methyl]azanium?
The InChIKey is KGSWLGGSFIFPTF-UHFFFAOYSA-O. The full InChI is InChI=1S/C21H27N3O2/c1-4-24(5-2)20(25)16-23(3)15-17-11-13-18(14-12-17)21(26)22-19-9-7-6-8-10-19/h6-14H,4-5,15-16H2,1-3H3,(H,22,26)/p+1.
What are the key properties of [2-(diethylamino)-2-oxoethyl]-methyl-[[4-(phenylcarbamoyl)phenyl]methyl]azanium?
[2-(diethylamino)-2-oxoethyl]-methyl-[[4-(phenylcarbamoyl)phenyl]methyl]azanium has a molecular weight of 354.47 g/mol, XLogP of 1.82, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(diethylamino)-2-oxoethyl]-methyl-[[4-(phenylcarbamoyl)phenyl]methyl]azanium is sourced from PubChem (CID 8692818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).