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Chemical ID: 6948633

CCC(C)c1ccccc1NC(=O)c2ccc(cc2)OCc3ccccc3

Chemical ID:

6948633

Name [?]:

4-benzyloxy-N-(2-sec-butylphenyl)-benzamide

SMILES [?]:

CCC(C)c1ccccc1NC(=O)c2ccc(cc2)OCc3ccccc3

InChi [?]:

InChI=1/C24H25NO2/c1-3-18(2)22-11-7-8-12-23(22)25-24(26)20-13-15-21(16-14-20)27-17-19-9-5-4-6-10-19/h4-16,18H,3,17H2,1-2H3,(H,25,26)

InChi Info:

AuxInfo=1/1/N:1,4,2,25,24,26,7,8,23,27,6,9,15,19,16,18,21,3,22,14,17,5,10,12,11,13,20/E:(5,6)(9,10)(13,14)(15,16)/rA:27cCCCCCCCCCCNCOCCCCCCOCCCCCCC/rB:s1;s2;s3;s3;s5;d6;s7;d8;d5s9;s10;s11;d12;s12;s14;d15;s16;d17;d14s18;s17;s20;s21;s22;d23;s24;d25;d22s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₄H₂₅NO₂
All Atoms:	52
Heavy Atoms:	27
Chiral Atoms:	1

ZAP Information [?]

Total:	12.0381
Area:	614.734
Solvation:	-3.33027
Coulombic:	-33.0609

Bond Count [?]

All:	29
Single:	19
Double:	10
Rotors:	8
Chiral:	0
Rigid Segments:	7

Chemical Properties

Molecular Weight:	359.461
H-Bond Donors:	1
H-Bond Acceptors:	3
XLogP:	6.38
LogP (Chemaxon):	5.57

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

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value