2,2-dimethoxyethyl-[2-oxo-2-(4-phenylmethoxyanilino)ethyl]azanium

C19H25N2O4+ — CID 2531888

IUPAC2,2-dimethoxyethyl-[2-oxo-2-(4-phenylmethoxyanilino)ethyl]azanium
SMILESCOC(C[NH2+]CC(=O)Nc1ccc(OCc2ccccc2)cc1)OC
InChIInChI=1S/C19H24N2O4/c1-23-19(24-2)13-20-12-18(22)21-16-8-10-17(11-9-16)25-14-15-6-4-3-5-7-15/h3-11,19-20H,12-14H2,1-2H3,(H,21,22)/p+1
InChIKeyBNBDRFFHIGFTOS-UHFFFAOYSA-O
MW345.42 g/mol
LogP1.39
Rot. Bonds10

About 2,2-dimethoxyethyl-[2-oxo-2-(4-phenylmethoxyanilino)ethyl]azanium

2,2-dimethoxyethyl-[2-oxo-2-(4-phenylmethoxyanilino)ethyl]azanium (PubChem CID 2531888) has the molecular formula C19H25N2O4+ and a molecular weight of 345.42 g/mol. Its IUPAC name is 2,2-dimethoxyethyl-[2-oxo-2-(4-phenylmethoxyanilino)ethyl]azanium.

Molecular Properties

Compound Name2,2-dimethoxyethyl-[2-oxo-2-(4-phenylmethoxyanilino)ethyl]azanium
PubChem CID2531888
Molecular FormulaC19H25N2O4+
Molecular Weight345.42 g/mol
Exact Mass345.18
IUPAC Name2,2-dimethoxyethyl-[2-oxo-2-(4-phenylmethoxyanilino)ethyl]azanium
SMILESCOC(C[NH2+]CC(=O)Nc1ccc(OCc2ccccc2)cc1)OC
InChIInChI=1S/C19H24N2O4/c1-23-19(24-2)13-20-12-18(22)21-16-8-10-17(11-9-16)25-14-15-6-4-3-5-7-15/h3-11,19-20H,12-14H2,1-2H3,(H,21,22)/p+1
InChIKeyBNBDRFFHIGFTOS-UHFFFAOYSA-O
XLogP1.39
TPSA73.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

methyl 3-oxo-3-(4-phenylmethoxyanilino)propanoate
CID 28638020
2-(4-bromophenyl)-N-(4-phenylmethoxyphenyl)acetamide
CID 1343788
N-(2-methylpropyl)-N'-(4-phenylmethoxyphenyl)propanediamide
CID 108941699
methyl 4-[[2-(4-phenylmethoxyphenoxy)acetyl]amino]benzoate
CID 7950516
2-(2-methylphenyl)-N-(4-phenylmethoxyphenyl)acetamide
CID 8573191
N'-tert-butyl-N-(4-phenylmethoxyphenyl)propanediamide
CID 108951508
1-(4-phenylmethoxyphenyl)-3-propan-2-ylurea
CID 110755142
2-(3-methylphenyl)-N-(4-phenylmethoxyphenyl)acetamide
CID 113098761
3-(4-methylphenoxy)-N-(4-phenylmethoxyphenyl)propanamide
CID 7963977
4-acetyl-N-(4-phenylmethoxyphenyl)piperazine-1-carboxamide
CID 108988713
2-(2,6-dimethoxyphenoxy)-N-(4-phenylmethoxyphenyl)acetamide
CID 7612423
[4-oxo-4-(4-phenylmethoxyanilino)butyl]azanium
CID 42149432

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethoxyethyl-[2-oxo-2-(4-phenylmethoxyanilino)ethyl]azanium?
The IUPAC name of 2,2-dimethoxyethyl-[2-oxo-2-(4-phenylmethoxyanilino)ethyl]azanium (CID 2531888) is 2,2-dimethoxyethyl-[2-oxo-2-(4-phenylmethoxyanilino)ethyl]azanium.
What is the SMILES notation for 2,2-dimethoxyethyl-[2-oxo-2-(4-phenylmethoxyanilino)ethyl]azanium?
The canonical SMILES for 2,2-dimethoxyethyl-[2-oxo-2-(4-phenylmethoxyanilino)ethyl]azanium is COC(C[NH2+]CC(=O)Nc1ccc(OCc2ccccc2)cc1)OC.
What is the InChIKey of 2,2-dimethoxyethyl-[2-oxo-2-(4-phenylmethoxyanilino)ethyl]azanium?
The InChIKey is BNBDRFFHIGFTOS-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H24N2O4/c1-23-19(24-2)13-20-12-18(22)21-16-8-10-17(11-9-16)25-14-15-6-4-3-5-7-15/h3-11,19-20H,12-14H2,1-2H3,(H,21,22)/p+1.
What are the key properties of 2,2-dimethoxyethyl-[2-oxo-2-(4-phenylmethoxyanilino)ethyl]azanium?
2,2-dimethoxyethyl-[2-oxo-2-(4-phenylmethoxyanilino)ethyl]azanium has a molecular weight of 345.42 g/mol, XLogP of 1.39, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethoxyethyl-[2-oxo-2-(4-phenylmethoxyanilino)ethyl]azanium is sourced from PubChem (CID 2531888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).