Chemical ID: 7034639

CCCCCOc1cccc(c1)C2C(=C(C(=O)N2CCCN(CC)CC)O)C(=O)c3ccccc3
Chemical ID:
7034639
Name [?]:
4-benzoyl-1-(3-diethylaminopropyl)-3-hydroxy-5-(3-pentoxyphenyl)-5H-pyrrol-2-one
SMILES [?]:
CCCCCOc1cccc(c1)C2C(=C(C(=O)N2CCCN(CC)CC)O)C(=O)c3ccccc3
InChi [?]:
InChI=1/C29H38N2O4/c1-4-7-11-20-35-24-17-12-16-23(21-24)26-25(27(32)22-14-9-8-10-15-22)28(33)29(34)31(26)19-13-18-30(5-2)6-3/h8-10,12,14-17,21,26,33H,4-7,11,13,18-20H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,24,26,2,23,25,3,33,32,34,4,9,20,31,35,10,8,21,19,5,12,30,11,7,14,13,28,15,16,22,18,29,27,17,6/E:(2,3)(5,6)(9,10)(14,15)/rA:35cCCCCCOCCCCCCCCCCONCCCNCCCCOCOCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;d8;s9;d10;d7s11;s11;s13;d14;s15;d16;s13s16;s18;s19;s20;s21;s22;s23;s22;s25;s15;s14;d28;s28;s30;d31;s32;d33;d30s34;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C29H38N2O4
All Atoms:73
Heavy Atoms:35
Chiral Atoms:1
ZAP Information [?]
Total:14.7362
Area:797.791
Solvation:-5.20853
Coulombic:-57.8045
Bond Count [?]
All:37
Single:28
Double:9
Rotors:14
Chiral:0
Rigid Segments:11
Chemical Properties
Molecular Weight:478.623
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:6.09
LogP (Chemaxon):1.37

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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