2-[(2-ethoxy-2,2-diphenylacetyl)amino]ethyl-dimethylazanium chloride

C20H27ClN2O2 — CID 29247

IUPAC2-[(2-ethoxy-2,2-diphenylacetyl)amino]ethyl-dimethylazanium chloride
SMILESCCOC(C(=O)NCC[NH+](C)C)(c1ccccc1)c1ccccc1.[Cl-]
InChIInChI=1S/C20H26N2O2.ClH/c1-4-24-20(17-11-7-5-8-12-17,18-13-9-6-10-14-18)19(23)21-15-16-22(2)3;/h5-14H,4,15-16H2,1-3H3,(H,21,23);1H
InChIKeyNSNAOWRGMCASGZ-UHFFFAOYSA-N
MW362.90 g/mol
LogP-1.77
Rot. Bonds8

About 2-[(2-ethoxy-2,2-diphenylacetyl)amino]ethyl-dimethylazanium chloride

2-[(2-ethoxy-2,2-diphenylacetyl)amino]ethyl-dimethylazanium chloride (PubChem CID 29247) has the molecular formula C20H27ClN2O2 and a molecular weight of 362.90 g/mol. Its IUPAC name is 2-[(2-ethoxy-2,2-diphenylacetyl)amino]ethyl-dimethylazanium chloride.

Molecular Properties

Compound Name2-[(2-ethoxy-2,2-diphenylacetyl)amino]ethyl-dimethylazanium chloride
PubChem CID29247
Molecular FormulaC20H27ClN2O2
Molecular Weight362.90 g/mol
Exact Mass362.18
IUPAC Name2-[(2-ethoxy-2,2-diphenylacetyl)amino]ethyl-dimethylazanium chloride
SMILESCCOC(C(=O)NCC[NH+](C)C)(c1ccccc1)c1ccccc1.[Cl-]
InChIInChI=1S/C20H26N2O2.ClH/c1-4-24-20(17-11-7-5-8-12-17,18-13-9-6-10-14-18)19(23)21-15-16-22(2)3;/h5-14H,4,15-16H2,1-3H3,(H,21,23);1H
InChIKeyNSNAOWRGMCASGZ-UHFFFAOYSA-N
XLogP-1.77
TPSA42.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.90
LogP ≤ 5-1.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

CID 10080
CID 10080
CID 68862
CID 68862
CID 597400
CID 597400
CID 381816
CID 381816
CID 12628842
CID 12628842
CID 10079
CID 10079
CID 2870138
CID 2870138
CID 3230480
CID 3230480
CID 3230481
CID 3230481
CID 6456612
CID 6456612
CID 2921709
CID 2921709
CID 9980795
CID 9980795

Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethoxy-2,2-diphenylacetyl)amino]ethyl-dimethylazanium chloride?
The IUPAC name of 2-[(2-ethoxy-2,2-diphenylacetyl)amino]ethyl-dimethylazanium chloride (CID 29247) is 2-[(2-ethoxy-2,2-diphenylacetyl)amino]ethyl-dimethylazanium chloride.
What is the SMILES notation for 2-[(2-ethoxy-2,2-diphenylacetyl)amino]ethyl-dimethylazanium chloride?
The canonical SMILES for 2-[(2-ethoxy-2,2-diphenylacetyl)amino]ethyl-dimethylazanium chloride is CCOC(C(=O)NCC[NH+](C)C)(c1ccccc1)c1ccccc1.[Cl-].
What is the InChIKey of 2-[(2-ethoxy-2,2-diphenylacetyl)amino]ethyl-dimethylazanium chloride?
The InChIKey is NSNAOWRGMCASGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2.ClH/c1-4-24-20(17-11-7-5-8-12-17,18-13-9-6-10-14-18)19(23)21-15-16-22(2)3;/h5-14H,4,15-16H2,1-3H3,(H,21,23);1H.
What are the key properties of 2-[(2-ethoxy-2,2-diphenylacetyl)amino]ethyl-dimethylazanium chloride?
2-[(2-ethoxy-2,2-diphenylacetyl)amino]ethyl-dimethylazanium chloride has a molecular weight of 362.90 g/mol, XLogP of -1.77, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-ethoxy-2,2-diphenylacetyl)amino]ethyl-dimethylazanium chloride is sourced from PubChem (CID 29247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).