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Chemical ID: 6919575

Chemical ID:

6919575

Name [?]:

N-[(1-ethylpyrrolidin-2-yl)methyl]-2-hydroxy-2,2-diphenyl-acetamide

SMILES [?]:

CCN1CCCC1CNC(=O)C(c2ccccc2)(c3ccccc3)O

InChi [?]:

InChI=1/C21H26N2O2/c1-2-23-15-9-14-19(23)16-22-20(24)21(25,17-10-5-3-6-11-17)18-12-7-4-8-13-18/h3-8,10-13,19,25H,2,9,14-16H2,1H3,(H,22,24)

InChi Info:

AuxInfo=1/1/N:1,2,16,22,15,17,21,23,5,14,18,20,24,6,4,8,13,19,7,10,12,9,3,11,25/E:(3,4)(5,6,7,8)(10,11,12,13)(17,18)/rA:25cCCNCCCCCNCOCCCCCCCCCCCCCO/rB:s1;s2;s3;s4;s5;s3s6;s7;s8;s9;d10;s10;s12;s13;d14;s15;d16;d13s17;s12;s19;d20;s21;d22;d19s23;s12;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₁H₂₆N₂O₂
All Atoms:	51
Heavy Atoms:	25
Chiral Atoms:	2

ZAP Information [?]

Total:	11.138
Area:	548.227
Solvation:	-2.56766
Coulombic:	-49.265

Bond Count [?]

All:	27
Single:	20
Double:	7
Rotors:	7
Chiral:	0
Rigid Segments:	7

Chemical Properties

Molecular Weight:	338.443
H-Bond Donors:	2
H-Bond Acceptors:	4
XLogP:	3.03
LogP (Chemaxon):	3.0

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value