[(1R)-2-(2-ethoxyanilino)-2-oxo-1-phenylethyl]-methyl-(2-phenoxyethyl)azanium

C25H29N2O3+ — CID 8514554

IUPAC[(1R)-2-(2-ethoxyanilino)-2-oxo-1-phenylethyl]-methyl-(2-phenoxyethyl)azanium
SMILESCCOc1ccccc1NC(=O)[C@@H](c1ccccc1)[NH+](C)CCOc1ccccc1
InChIInChI=1S/C25H28N2O3/c1-3-29-23-17-11-10-16-22(23)26-25(28)24(20-12-6-4-7-13-20)27(2)18-19-30-21-14-8-5-9-15-21/h4-17,24H,3,18-19H2,1-2H3,(H,26,28)/p+1/t24-/m1/s1
InChIKeyDZZBNEZAJJMTOO-XMMPIXPASA-O
MW405.52 g/mol
LogP3.36
Rot. Bonds10

About [(1R)-2-(2-ethoxyanilino)-2-oxo-1-phenylethyl]-methyl-(2-phenoxyethyl)azanium

[(1R)-2-(2-ethoxyanilino)-2-oxo-1-phenylethyl]-methyl-(2-phenoxyethyl)azanium (PubChem CID 8514554) has the molecular formula C25H29N2O3+ and a molecular weight of 405.52 g/mol. Its IUPAC name is [(1R)-2-(2-ethoxyanilino)-2-oxo-1-phenylethyl]-methyl-(2-phenoxyethyl)azanium.

Molecular Properties

Compound Name[(1R)-2-(2-ethoxyanilino)-2-oxo-1-phenylethyl]-methyl-(2-phenoxyethyl)azanium
PubChem CID8514554
Molecular FormulaC25H29N2O3+
Molecular Weight405.52 g/mol
Exact Mass405.22
IUPAC Name[(1R)-2-(2-ethoxyanilino)-2-oxo-1-phenylethyl]-methyl-(2-phenoxyethyl)azanium
SMILESCCOc1ccccc1NC(=O)[C@@H](c1ccccc1)[NH+](C)CCOc1ccccc1
InChIInChI=1S/C25H28N2O3/c1-3-29-23-17-11-10-16-22(23)26-25(28)24(20-12-6-4-7-13-20)27(2)18-19-30-21-14-8-5-9-15-21/h4-17,24H,3,18-19H2,1-2H3,(H,26,28)/p+1/t24-/m1/s1
InChIKeyDZZBNEZAJJMTOO-XMMPIXPASA-O
XLogP3.36
TPSA52.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.52
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[(1S)-2-(2-ethoxyanilino)-2-oxo-1-phenylethyl]-methyl-(thiophen-2-ylmethyl)azanium
CID 8516835
(2S)-2-amino-N-(2-ethoxyphenyl)-2-phenylacetamide
CID 22691717
[2-(2-ethoxyanilino)-2-oxo-1-phenylethyl] 4-butoxybenzoate
CID 3259841
[(1S)-2-(2-ethoxyanilino)-2-oxo-1-phenylethyl]-propan-2-ylazanium
CID 2533842
1-benzhydryl-3-(2-ethoxyphenyl)urea
CID 108867539
4-[(1S)-2-(2-ethoxyanilino)-2-oxo-1-phenylethoxy]benzamide
CID 8607962
2-(2-ethoxyanilino)-N-[2-(2-phenoxyethoxy)phenyl]acetamide
CID 54817274
N-(2-ethoxyphenyl)-2-[2-(2-phenoxyethoxy)anilino]acetamide
CID 54827090
2-ethoxy-N-[2-(2-phenoxyethoxy)phenyl]benzamide
CID 17130918
(2R)-2-(4-cyanophenoxy)-N-(2-ethoxyphenyl)-2-phenylacetamide
CID 7505945
4-(2-ethoxyanilino)-2,3-dimethyl-4-oxobutanoic acid
CID 103496044
phenyl N-(2-ethoxyphenyl)carbamate
CID 51345560

Frequently Asked Questions

What is the IUPAC name of [(1R)-2-(2-ethoxyanilino)-2-oxo-1-phenylethyl]-methyl-(2-phenoxyethyl)azanium?
The IUPAC name of [(1R)-2-(2-ethoxyanilino)-2-oxo-1-phenylethyl]-methyl-(2-phenoxyethyl)azanium (CID 8514554) is [(1R)-2-(2-ethoxyanilino)-2-oxo-1-phenylethyl]-methyl-(2-phenoxyethyl)azanium.
What is the SMILES notation for [(1R)-2-(2-ethoxyanilino)-2-oxo-1-phenylethyl]-methyl-(2-phenoxyethyl)azanium?
The canonical SMILES for [(1R)-2-(2-ethoxyanilino)-2-oxo-1-phenylethyl]-methyl-(2-phenoxyethyl)azanium is CCOc1ccccc1NC(=O)[C@@H](c1ccccc1)[NH+](C)CCOc1ccccc1.
What is the InChIKey of [(1R)-2-(2-ethoxyanilino)-2-oxo-1-phenylethyl]-methyl-(2-phenoxyethyl)azanium?
The InChIKey is DZZBNEZAJJMTOO-XMMPIXPASA-O. The full InChI is InChI=1S/C25H28N2O3/c1-3-29-23-17-11-10-16-22(23)26-25(28)24(20-12-6-4-7-13-20)27(2)18-19-30-21-14-8-5-9-15-21/h4-17,24H,3,18-19H2,1-2H3,(H,26,28)/p+1/t24-/m1/s1.
What are the key properties of [(1R)-2-(2-ethoxyanilino)-2-oxo-1-phenylethyl]-methyl-(2-phenoxyethyl)azanium?
[(1R)-2-(2-ethoxyanilino)-2-oxo-1-phenylethyl]-methyl-(2-phenoxyethyl)azanium has a molecular weight of 405.52 g/mol, XLogP of 3.36, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-2-(2-ethoxyanilino)-2-oxo-1-phenylethyl]-methyl-(2-phenoxyethyl)azanium is sourced from PubChem (CID 8514554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).