Chemical ID: 5876477

CCCC(=O)N(CCC(c1ccccc1)c2ccccc2)Cc3ccc(c(c3)OC)OCc4ccccc4
Chemical ID:
5876477
Name [?]:
N-[(4-benzyloxy-3-methoxy-phenyl)methyl]-N-(3,3-diphenylpropyl)butanamide
SMILES [?]:
CCCC(=O)N(CCC(c1ccccc1)c2ccccc2)Cc3ccc(c(c3)OC)OCc4ccccc4
InChi [?]:
InChI=1/C34H37NO3/c1-3-13-34(36)35(23-22-31(29-16-9-5-10-17-29)30-18-11-6-12-19-30)25-28-20-21-32(33(24-28)37-2)38-26-27-14-7-4-8-15-27/h4-12,14-21,24,31H,3,13,22-23,25-26H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,30,2,36,13,19,35,37,12,14,18,20,3,34,38,11,15,17,21,24,25,8,7,28,22,32,33,23,10,16,9,26,27,4,6,5,29,31/E:(5,6)(7,8)(9,10,11,12)(14,15)(16,17,18,19)(29,30)/rA:38nCCCCONCCCCCCCCCCCCCCCCCCCCCCOCOCCCCCCC/rB:s1;s2;s3;d4;s4;s6;s7;s8;s9;s10;d11;s12;d13;d10s14;s9;s16;d17;s18;d19;d16s20;s6;s22;s23;d24;s25;d26;d23s27;s27;s29;s26;s31;s32;s33;d34;s35;d36;d33s37;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C34H37NO3
All Atoms:38
Heavy Atoms:38
Chiral Atoms:0
ZAP Information [?]
Total:13.3662
Area:809.553
Solvation:-6.87267
Coulombic:-35.6222
Bond Count [?]
All:41
Single:28
Double:13
Rotors:14
Chiral:0
Rigid Segments:10
Chemical Properties
Molecular Weight:507.663
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:7.37
LogP (Chemaxon):7.5

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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