Chemical ID: 5909704

Cc1ccc(o1)CN(Cc2ccccc2)C(=O)CN(CC=C)C(=O)CCC3CCCC3
Chemical ID:
5909704
Name [?]:
N-allyl-N-[[benzyl-[(5-methyl-2-furyl)methyl]carbamoyl]methyl]-3-cyclopentyl-propanamide
SMILES [?]:
Cc1ccc(o1)CN(Cc2ccccc2)C(=O)CN(CC=C)C(=O)CCC3CCCC3
InChi [?]:
InChI=1/C26H34N2O3/c1-3-17-27(25(29)16-14-22-9-7-8-10-22)20-26(30)28(18-23-11-5-4-6-12-23)19-24-15-13-21(2)31-24/h3-6,11-13,15,22H,1,7-10,14,16-20H2,2H3
InChi Info:
AuxInfo=1/0/N:22,1,21,13,12,14,29,30,28,31,11,15,3,26,4,25,20,9,7,18,2,27,10,5,23,16,19,8,24,17,6/E:(5,6)(7,8)(9,10)(11,12)/rA:31nCCCCCOCNCCCCCCCCOCNCCCCOCCCCCCC/rB:s1;d2;s3;d4;s2s5;s5;s7;s8;s9;s10;d11;s12;d13;d10s14;s8;d16;s16;s18;s19;s20;d21;s19;d23;s23;s25;s26;s27;s28;s29;s27s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C26H34N2O3
All Atoms:31
Heavy Atoms:31
Chiral Atoms:0
ZAP Information [?]
Total:12.8586
Area:687.216
Solvation:-4.32184
Coulombic:-42.561
Bond Count [?]
All:33
Single:25
Double:8
Rotors:13
Chiral:0
Rigid Segments:9
Chemical Properties
Molecular Weight:422.56
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:4.83
LogP (Chemaxon):3.93

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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