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Chemical ID: 6194481

COc1cc(ccc1NC(=O)CCc2ccccc2)c3ccc(c(c3)OC)NC(=O)CCc4ccccc4

Chemical ID:

6194481

Name [?]:

N-[2-methoxy-4-[3-methoxy-4-(3-phenylpropanoylamino)phenyl]-phenyl]-3-phenyl-propanamide

SMILES [?]:

COc1cc(ccc1NC(=O)CCc2ccccc2)c3ccc(c(c3)OC)NC(=O)CCc4ccccc4

InChi [?]:

InChI=1/C32H32N2O4/c1-37-29-21-25(15-17-27(29)33-31(35)19-13-23-9-5-3-6-10-23)26-16-18-28(30(22-26)38-2)34-32(36)20-14-24-11-7-4-8-12-24/h3-12,15-18,21-22H,13-14,19-20H2,1-2H3,(H,33,35)(H,34,36)

InChi Info:

AuxInfo=1/1/N:1,27,17,36,16,18,35,37,15,19,34,38,13,32,6,21,7,22,12,31,4,25,14,33,5,20,8,23,3,24,10,29,9,28,11,30,2,26/E:(1,2)(3,4)(5,6,7,8)(9,10,11,12)(13,14)(15,16)(17,18)(19,20)(21,22)(23,24)(25,26)(27,28)(29,30)(31,32)(33,34)(35,36)(37,38)/gE:(1,2)/rA:38nCOCCCCCCNCOCCCCCCCCCCCCCCOCNCOCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;d10;s10;s12;s13;s14;d15;s16;d17;d14s18;s5;s20;d21;s22;d23;d20s24;s24;s26;s23;s28;d29;s29;s31;s32;s33;d34;s35;d36;d33s37;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₃₂H₃₂N₂O₄
All Atoms:	38
Heavy Atoms:	38
Chiral Atoms:	0

ZAP Information [?]

Total:	14.4965
Area:	814.7
Solvation:	-5.87104
Coulombic:	-58.4399

Bond Count [?]

All:	41
Single:	27
Double:	14
Rotors:	13
Chiral:	0
Rigid Segments:	10

Chemical Properties

Molecular Weight:	508.608
H-Bond Donors:	2
H-Bond Acceptors:	6
XLogP:	5.27
LogP (Chemaxon):	6.36

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value