Chemical ID: 4846119

CCCOc1ccc(cc1)C(=O)C2=C(C(=O)N(C2c3ccc(cc3)C(C)C)CCCN(C)C)O
Chemical ID:
4846119
Name [?]:
1-(3-dimethylaminopropyl)-3-hydroxy-5-(4-isopropylphenyl)-4-(4-propoxybenzoyl)-5H-pyrrol-2-one
SMILES [?]:
CCCOc1ccc(cc1)C(=O)C2=C(C(=O)N(C2c3ccc(cc3)C(C)C)CCCN(C)C)O
InChi [?]:
InChI=1/C28H36N2O4/c1-6-18-34-23-14-12-22(13-15-23)26(31)24-25(21-10-8-20(9-11-21)19(2)3)30(28(33)27(24)32)17-7-16-29(4)5/h8-15,19,25,32H,6-7,16-18H2,1-5H3
InChi Info:
AuxInfo=1/0/N:1,26,27,32,33,2,29,21,23,20,24,7,9,6,10,30,28,3,25,22,19,8,5,13,18,11,14,15,31,17,12,34,16,4/E:(2,3)(4,5)(8,9)(10,11)(12,13)(14,15)/rA:34cCCCOCCCCCCCOCCCONCCCCCCCCCCCCCNCCO/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s8;d11;s11;d13;s14;d15;s15;s13s17;s18;s19;d20;s21;d22;d19s23;s22;s25;s25;s17;s28;s29;s30;s31;s31;s14;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C28H36N2O4
All Atoms:34
Heavy Atoms:34
Chiral Atoms:1
ZAP Information [?]
Total:13.654
Area:760.446
Solvation:-5.35716
Coulombic:-57.0342
Bond Count [?]
All:36
Single:27
Double:9
Rotors:11
Chiral:0
Rigid Segments:9
Chemical Properties
Molecular Weight:464.597
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:5.51
LogP (Chemaxon):1.19

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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