N-[2-[di(propan-2-yl)amino]ethyl]-2-(2-hydroxyphenyl)-2-phenylacetamide;hydrochloride

C22H31ClN2O2 — CID 19743115

IUPACN-[2-[di(propan-2-yl)amino]ethyl]-2-(2-hydroxyphenyl)-2-phenylacetamide;hydrochloride
SMILESCC(C)N(CCNC(=O)C(c1ccccc1)c1ccccc1O)C(C)C.Cl
InChIInChI=1S/C22H30N2O2.ClH/c1-16(2)24(17(3)4)15-14-23-22(26)21(18-10-6-5-7-11-18)19-12-8-9-13-20(19)25;/h5-13,16-17,21,25H,14-15H2,1-4H3,(H,23,26);1H
InChIKeyZGUQMUHCSSFERG-UHFFFAOYSA-N
MW390.96 g/mol
LogP4.18
Rot. Bonds8

About N-[2-[di(propan-2-yl)amino]ethyl]-2-(2-hydroxyphenyl)-2-phenylacetamide;hydrochloride

N-[2-[di(propan-2-yl)amino]ethyl]-2-(2-hydroxyphenyl)-2-phenylacetamide;hydrochloride (PubChem CID 19743115) has the molecular formula C22H31ClN2O2 and a molecular weight of 390.96 g/mol. Its IUPAC name is N-[2-[di(propan-2-yl)amino]ethyl]-2-(2-hydroxyphenyl)-2-phenylacetamide;hydrochloride.

Molecular Properties

Compound NameN-[2-[di(propan-2-yl)amino]ethyl]-2-(2-hydroxyphenyl)-2-phenylacetamide;hydrochloride
PubChem CID19743115
Molecular FormulaC22H31ClN2O2
Molecular Weight390.96 g/mol
Exact Mass390.21
IUPAC NameN-[2-[di(propan-2-yl)amino]ethyl]-2-(2-hydroxyphenyl)-2-phenylacetamide;hydrochloride
SMILESCC(C)N(CCNC(=O)C(c1ccccc1)c1ccccc1O)C(C)C.Cl
InChIInChI=1S/C22H30N2O2.ClH/c1-16(2)24(17(3)4)15-14-23-22(26)21(18-10-6-5-7-11-18)19-12-8-9-13-20(19)25;/h5-13,16-17,21,25H,14-15H2,1-4H3,(H,23,26);1H
InChIKeyZGUQMUHCSSFERG-UHFFFAOYSA-N
XLogP4.18
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.96
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(dimethylamino)-N-[2-[di(propan-2-yl)amino]ethyl]-2-phenylacetamide
CID 97017597
2-[1-[2-[di(propan-2-yl)amino]ethylamino]ethyl]phenol
CID 43191146
3-amino-N-[2-[di(propan-2-yl)amino]ethyl]-3-phenylpropanamide
CID 24694165
2-chloro-N-[2-[methyl(propan-2-yl)amino]ethyl]-2-phenylacetamide
CID 62640904
4-[2-[di(propan-2-yl)amino]ethyl]-2-[3-[di(propan-2-yl)amino]-1-phenylpropyl]phenol;hydrochloride
CID 18357394
2-[(2,2-diphenylacetyl)amino]ethanesulfonic acid
CID 7209593
2,2-diphenyl-N-(3-sulfamoylpropyl)acetamide
CID 47067593
[2-[(1S)-3-[di(propan-2-yl)amino]-1-phenylpropyl]phenyl]methanol
CID 54021285
1-[2-[di(propan-2-yl)amino]ethyl]-3-[[2-(hydroxymethyl)phenyl]methyl]urea
CID 110911654
(3R)-2,3-dihydroxybutanedioic acid;2-[(1R)-3-[di(propan-2-yl)amino]-1-phenylpropyl]-4-methylphenol
CID 91809622
2-[3-[di(propan-2-yl)amino]-1-phenylpropyl]-4-(propan-2-yloxymethyl)phenol
CID 22735213
1-[2-(2-chlorophenyl)-2-hydroxyethyl]-3-[2-[di(propan-2-yl)amino]ethyl]urea
CID 111453913

Frequently Asked Questions

What is the IUPAC name of N-[2-[di(propan-2-yl)amino]ethyl]-2-(2-hydroxyphenyl)-2-phenylacetamide;hydrochloride?
The IUPAC name of N-[2-[di(propan-2-yl)amino]ethyl]-2-(2-hydroxyphenyl)-2-phenylacetamide;hydrochloride (CID 19743115) is N-[2-[di(propan-2-yl)amino]ethyl]-2-(2-hydroxyphenyl)-2-phenylacetamide;hydrochloride.
What is the SMILES notation for N-[2-[di(propan-2-yl)amino]ethyl]-2-(2-hydroxyphenyl)-2-phenylacetamide;hydrochloride?
The canonical SMILES for N-[2-[di(propan-2-yl)amino]ethyl]-2-(2-hydroxyphenyl)-2-phenylacetamide;hydrochloride is CC(C)N(CCNC(=O)C(c1ccccc1)c1ccccc1O)C(C)C.Cl.
What is the InChIKey of N-[2-[di(propan-2-yl)amino]ethyl]-2-(2-hydroxyphenyl)-2-phenylacetamide;hydrochloride?
The InChIKey is ZGUQMUHCSSFERG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O2.ClH/c1-16(2)24(17(3)4)15-14-23-22(26)21(18-10-6-5-7-11-18)19-12-8-9-13-20(19)25;/h5-13,16-17,21,25H,14-15H2,1-4H3,(H,23,26);1H.
What are the key properties of N-[2-[di(propan-2-yl)amino]ethyl]-2-(2-hydroxyphenyl)-2-phenylacetamide;hydrochloride?
N-[2-[di(propan-2-yl)amino]ethyl]-2-(2-hydroxyphenyl)-2-phenylacetamide;hydrochloride has a molecular weight of 390.96 g/mol, XLogP of 4.18, 8 rotatable bonds, 2 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-(2-hydroxyphenyl)-2-phenylacetamide;hydrochloride is sourced from PubChem (CID 19743115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).