methyl-[[4-(methylcarbamoyl)phenyl]methyl]-[2-oxo-2-(4-phenoxyanilino)ethyl]azanium

C24H26N3O3+ — CID 9003305

IUPACmethyl-[[4-(methylcarbamoyl)phenyl]methyl]-[2-oxo-2-(4-phenoxyanilino)ethyl]azanium
SMILESCNC(=O)c1ccc(C[NH+](C)CC(=O)Nc2ccc(Oc3ccccc3)cc2)cc1
InChIInChI=1S/C24H25N3O3/c1-25-24(29)19-10-8-18(9-11-19)16-27(2)17-23(28)26-20-12-14-22(15-13-20)30-21-6-4-3-5-7-21/h3-15H,16-17H2,1-2H3,(H,25,29)(H,26,28)/p+1
InChIKeyGFXYBSHVLSJVOE-UHFFFAOYSA-O
MW404.49 g/mol
LogP2.49
Rot. Bonds8

About methyl-[[4-(methylcarbamoyl)phenyl]methyl]-[2-oxo-2-(4-phenoxyanilino)ethyl]azanium

methyl-[[4-(methylcarbamoyl)phenyl]methyl]-[2-oxo-2-(4-phenoxyanilino)ethyl]azanium (PubChem CID 9003305) has the molecular formula C24H26N3O3+ and a molecular weight of 404.49 g/mol. Its IUPAC name is methyl-[[4-(methylcarbamoyl)phenyl]methyl]-[2-oxo-2-(4-phenoxyanilino)ethyl]azanium.

Molecular Properties

Compound Namemethyl-[[4-(methylcarbamoyl)phenyl]methyl]-[2-oxo-2-(4-phenoxyanilino)ethyl]azanium
PubChem CID9003305
Molecular FormulaC24H26N3O3+
Molecular Weight404.49 g/mol
Exact Mass404.20
IUPAC Namemethyl-[[4-(methylcarbamoyl)phenyl]methyl]-[2-oxo-2-(4-phenoxyanilino)ethyl]azanium
SMILESCNC(=O)c1ccc(C[NH+](C)CC(=O)Nc2ccc(Oc3ccccc3)cc2)cc1
InChIInChI=1S/C24H25N3O3/c1-25-24(29)19-10-8-18(9-11-19)16-27(2)17-23(28)26-20-12-14-22(15-13-20)30-21-6-4-3-5-7-21/h3-15H,16-17H2,1-2H3,(H,25,29)(H,26,28)/p+1
InChIKeyGFXYBSHVLSJVOE-UHFFFAOYSA-O
XLogP2.49
TPSA71.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.49
LogP ≤ 52.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze methyl-[[4-(methylcarbamoyl)phenyl]methyl]-[2-oxo-2-(4-phenoxyanilino)ethyl]azanium with MolForge

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Related Compounds

methyl-[[4-(methylcarbamoyl)phenyl]methyl]-[2-oxo-2-(4-phenylmethoxyanilino)ethyl]azanium
CID 9003143
[2-(3-methoxyanilino)-2-oxoethyl]-methyl-[[4-(methylcarbamoyl)phenyl]methyl]azanium
CID 9003149
methyl-[[4-(methylcarbamoyl)phenyl]methyl]-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]azanium
CID 9003233
[2-(3-fluoroanilino)-2-oxoethyl]-methyl-[[4-(methylcarbamoyl)phenyl]methyl]azanium
CID 9123043
(2-anilino-2-oxoethyl)-benzyl-methylazanium
CID 8901163
[2-(4-fluoroanilino)-2-oxoethyl]-methyl-[2-oxo-2-(4-phenoxyanilino)ethyl]azanium
CID 7999133
(2-anilino-2-oxoethyl)-[(4-tert-butylphenyl)methyl]-methylazanium
CID 8908661
[2-(2,5-dimethoxyanilino)-2-oxoethyl]-methyl-[[4-(methylcarbamoyl)phenyl]methyl]azanium
CID 9003158
N-methyl-4-[[2-(4-phenoxypyrazol-1-yl)acetyl]amino]benzamide
CID 171133571
(4-ethoxyphenyl)methyl-[2-(4-methoxycarbonylanilino)-2-oxoethyl]-methylazanium
CID 8799417
methyl-[2-oxo-2-(propan-2-ylamino)ethyl]-[[4-(phenylcarbamoyl)phenyl]methyl]azanium
CID 9050173
benzyl-[2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl]-methylazanium
CID 8900908

Frequently Asked Questions

What is the IUPAC name of methyl-[[4-(methylcarbamoyl)phenyl]methyl]-[2-oxo-2-(4-phenoxyanilino)ethyl]azanium?
The IUPAC name of methyl-[[4-(methylcarbamoyl)phenyl]methyl]-[2-oxo-2-(4-phenoxyanilino)ethyl]azanium (CID 9003305) is methyl-[[4-(methylcarbamoyl)phenyl]methyl]-[2-oxo-2-(4-phenoxyanilino)ethyl]azanium.
What is the SMILES notation for methyl-[[4-(methylcarbamoyl)phenyl]methyl]-[2-oxo-2-(4-phenoxyanilino)ethyl]azanium?
The canonical SMILES for methyl-[[4-(methylcarbamoyl)phenyl]methyl]-[2-oxo-2-(4-phenoxyanilino)ethyl]azanium is CNC(=O)c1ccc(C[NH+](C)CC(=O)Nc2ccc(Oc3ccccc3)cc2)cc1.
What is the InChIKey of methyl-[[4-(methylcarbamoyl)phenyl]methyl]-[2-oxo-2-(4-phenoxyanilino)ethyl]azanium?
The InChIKey is GFXYBSHVLSJVOE-UHFFFAOYSA-O. The full InChI is InChI=1S/C24H25N3O3/c1-25-24(29)19-10-8-18(9-11-19)16-27(2)17-23(28)26-20-12-14-22(15-13-20)30-21-6-4-3-5-7-21/h3-15H,16-17H2,1-2H3,(H,25,29)(H,26,28)/p+1.
What are the key properties of methyl-[[4-(methylcarbamoyl)phenyl]methyl]-[2-oxo-2-(4-phenoxyanilino)ethyl]azanium?
methyl-[[4-(methylcarbamoyl)phenyl]methyl]-[2-oxo-2-(4-phenoxyanilino)ethyl]azanium has a molecular weight of 404.49 g/mol, XLogP of 2.49, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-[[4-(methylcarbamoyl)phenyl]methyl]-[2-oxo-2-(4-phenoxyanilino)ethyl]azanium is sourced from PubChem (CID 9003305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).