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Chemical ID: 5625339

CCCCNC(=O)C(=Cc1ccc(cc1)N(C)C)NC(=O)c2ccccc2

Chemical ID:

5625339

Name [?]:

N-[1-(butylcarbamoyl)-2-(4-dimethylaminophenyl)-vinyl]benzamide

SMILES [?]:

CCCCNC(=O)C(=Cc1ccc(cc1)N(C)C)NC(=O)c2ccccc2

InChi [?]:

InChI=1/C22H27N3O2/c1-4-5-15-23-22(27)20(24-21(26)18-9-7-6-8-10-18)16-17-11-13-19(14-12-17)25(2)3/h6-14,16H,4-5,15H2,1-3H3,(H,23,27)(H,24,26)

InChi Info:

AuxInfo=1/1/N:1,17,18,2,3,25,24,26,23,27,11,15,12,14,4,9,10,22,13,8,20,6,5,19,16,21,7/E:(2,3)(7,8)(9,10)(11,12)(13,14)/rA:27nCCCCNCOCCCCCCCCNCCNCOCCCCCC/rB:s1;s2;s3;s4;s5;d6;s6;w8;s9;s10;d11;s12;d13;d10s14;s13;s16;s16;s8;s19;d20;s20;s22;d23;s24;d25;d22s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₂H₂₇N₃O₂
All Atoms:	27
Heavy Atoms:	27
Chiral Atoms:	0

ZAP Information [?]

Total:	11.8696
Area:	619.61
Solvation:	-3.62063
Coulombic:	-52.0045

Bond Count [?]

All:	28
Single:	19
Double:	9
Rotors:	10
Chiral:	1
Rigid Segments:	8

Chemical Properties

Molecular Weight:	365.469
H-Bond Donors:	2
H-Bond Acceptors:	5
XLogP:	4.55
LogP (Chemaxon):	3.52

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