Chemical ID: 4900962

CCCCOc1ccc(cc1)C(=O)C2=C(C(=O)N(C2c3ccccc3OC)CCCN(C)C)O
Chemical ID:
4900962
Name [?]:
4-(4-butoxybenzoyl)-1-(3-dimethylaminopropyl)-3-hydroxy-5-(2-methoxyphenyl)-5H-pyrrol-2-one
SMILES [?]:
CCCCOc1ccc(cc1)C(=O)C2=C(C(=O)N(C2c3ccccc3OC)CCCN(C)C)O
InChi [?]:
InChI=1/C27H34N2O5/c1-5-6-18-34-20-14-12-19(13-15-20)25(30)23-24(21-10-7-8-11-22(21)33-4)29(27(32)26(23)31)17-9-16-28(2)3/h7-8,10-15,24,31H,5-6,9,16-18H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,32,33,27,2,3,22,23,29,21,24,8,10,7,11,30,28,4,9,6,20,25,14,19,12,15,16,31,18,13,34,17,26,5/E:(2,3)(12,13)(14,15)/rA:34cCCCCOCCCCCCCOCCCONCCCCCCCOCCCCNCCO/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;d6s10;s9;d12;s12;d14;s15;d16;s16;s14s18;s19;s20;d21;s22;d23;d20s24;s25;s26;s18;s28;s29;s30;s31;s31;s15;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C27H34N2O5
All Atoms:34
Heavy Atoms:34
Chiral Atoms:1
ZAP Information [?]
Total:12.526
Area:732.353
Solvation:-5.78283
Coulombic:-64.353
Bond Count [?]
All:36
Single:27
Double:9
Rotors:12
Chiral:0
Rigid Segments:9
Chemical Properties
Molecular Weight:466.569
H-Bond Donors:1
H-Bond Acceptors:7
XLogP:4.59
LogP (Chemaxon):0.09

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Descriptor Annotations

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