N-[2-[di(propan-2-yl)amino]ethyl]-2-methoxy-2,2-diphenylacetamide;hydrochloride

C23H33ClN2O2 — CID 19743110

IUPACN-[2-[di(propan-2-yl)amino]ethyl]-2-methoxy-2,2-diphenylacetamide;hydrochloride
SMILESCOC(C(=O)NCCN(C(C)C)C(C)C)(c1ccccc1)c1ccccc1.Cl
InChIInChI=1S/C23H32N2O2.ClH/c1-18(2)25(19(3)4)17-16-24-22(26)23(27-5,20-12-8-6-9-13-20)21-14-10-7-11-15-21;/h6-15,18-19H,16-17H2,1-5H3,(H,24,26);1H
InChIKeySQWLHWBNQRMCBT-UHFFFAOYSA-N
MW404.98 g/mol
LogP4.23
Rot. Bonds9

About N-[2-[di(propan-2-yl)amino]ethyl]-2-methoxy-2,2-diphenylacetamide;hydrochloride

N-[2-[di(propan-2-yl)amino]ethyl]-2-methoxy-2,2-diphenylacetamide;hydrochloride (PubChem CID 19743110) has the molecular formula C23H33ClN2O2 and a molecular weight of 404.98 g/mol. Its IUPAC name is N-[2-[di(propan-2-yl)amino]ethyl]-2-methoxy-2,2-diphenylacetamide;hydrochloride.

Molecular Properties

Compound NameN-[2-[di(propan-2-yl)amino]ethyl]-2-methoxy-2,2-diphenylacetamide;hydrochloride
PubChem CID19743110
Molecular FormulaC23H33ClN2O2
Molecular Weight404.98 g/mol
Exact Mass404.22
IUPAC NameN-[2-[di(propan-2-yl)amino]ethyl]-2-methoxy-2,2-diphenylacetamide;hydrochloride
SMILESCOC(C(=O)NCCN(C(C)C)C(C)C)(c1ccccc1)c1ccccc1.Cl
InChIInChI=1S/C23H32N2O2.ClH/c1-18(2)25(19(3)4)17-16-24-22(26)23(27-5,20-12-8-6-9-13-20)21-14-10-7-11-15-21;/h6-15,18-19H,16-17H2,1-5H3,(H,24,26);1H
InChIKeySQWLHWBNQRMCBT-UHFFFAOYSA-N
XLogP4.23
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.98
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-[di(propan-2-yl)amino]ethyl]-2-methoxy-2,2-diphenylacetamide;hydrochloride?
The IUPAC name of N-[2-[di(propan-2-yl)amino]ethyl]-2-methoxy-2,2-diphenylacetamide;hydrochloride (CID 19743110) is N-[2-[di(propan-2-yl)amino]ethyl]-2-methoxy-2,2-diphenylacetamide;hydrochloride.
What is the SMILES notation for N-[2-[di(propan-2-yl)amino]ethyl]-2-methoxy-2,2-diphenylacetamide;hydrochloride?
The canonical SMILES for N-[2-[di(propan-2-yl)amino]ethyl]-2-methoxy-2,2-diphenylacetamide;hydrochloride is COC(C(=O)NCCN(C(C)C)C(C)C)(c1ccccc1)c1ccccc1.Cl.
What is the InChIKey of N-[2-[di(propan-2-yl)amino]ethyl]-2-methoxy-2,2-diphenylacetamide;hydrochloride?
The InChIKey is SQWLHWBNQRMCBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2O2.ClH/c1-18(2)25(19(3)4)17-16-24-22(26)23(27-5,20-12-8-6-9-13-20)21-14-10-7-11-15-21;/h6-15,18-19H,16-17H2,1-5H3,(H,24,26);1H.
What are the key properties of N-[2-[di(propan-2-yl)amino]ethyl]-2-methoxy-2,2-diphenylacetamide;hydrochloride?
N-[2-[di(propan-2-yl)amino]ethyl]-2-methoxy-2,2-diphenylacetamide;hydrochloride has a molecular weight of 404.98 g/mol, XLogP of 4.23, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[di(propan-2-yl)amino]ethyl]-2-methoxy-2,2-diphenylacetamide;hydrochloride is sourced from PubChem (CID 19743110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).