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Chemical ID: 4667379

Chemical ID:

4667379

Name [?]:

2-benzyl-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide

SMILES [?]:

COc1ccc(cc1OC)CCNC(=O)c2ccccc2Cc3ccccc3

InChi [?]:

InChI=1/C24H25NO3/c1-27-22-13-12-19(17-23(22)28-2)14-15-25-24(26)21-11-7-6-10-20(21)16-18-8-4-3-5-9-18/h3-13,17H,14-16H2,1-2H3,(H,25,26)

InChi Info:

AuxInfo=1/1/N:1,10,26,25,27,19,18,24,28,20,17,5,4,11,12,22,7,23,6,21,16,3,8,14,13,15,2,9/E:(4,5)(8,9)/rA:28nCOCCCCCCOCCCNCOCCCCCCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s6;s11;s12;s13;d14;s14;s16;d17;s18;d19;d16s20;s21;s22;s23;d24;s25;d26;d23s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₄H₂₅NO₃
All Atoms:	28
Heavy Atoms:	28
Chiral Atoms:	0

ZAP Information [?]

Total:	10.1505
Area:	627.492
Solvation:	-5.53677
Coulombic:	-39.527

Bond Count [?]

All:	30
Single:	20
Double:	10
Rotors:	9
Chiral:	0
Rigid Segments:	7

Chemical Properties

Molecular Weight:	375.46
H-Bond Donors:	1
H-Bond Acceptors:	4
XLogP:	4.82
LogP (Chemaxon):	4.55

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value