Chemical ID: 6431814

CCCOc1ccc(cc1)C(=O)C2=C(C(=O)N(C2c3ccc(cc3)N(C)C)CCc4ccccc4)O
Chemical ID:
6431814
Name [?]:
5-(4-dimethylaminophenyl)-3-hydroxy-1-phenethyl-4-(4-propoxybenzoyl)-5H-pyrrol-2-one
SMILES [?]:
CCCOc1ccc(cc1)C(=O)C2=C(C(=O)N(C2c3ccc(cc3)N(C)C)CCc4ccccc4)O
InChi [?]:
InChI=1/C30H32N2O4/c1-4-20-36-25-16-12-23(13-17-25)28(33)26-27(22-10-14-24(15-11-22)31(2)3)32(30(35)29(26)34)19-18-21-8-6-5-7-9-21/h5-17,27,34H,4,18-20H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,26,27,2,33,32,34,31,35,20,24,7,9,21,23,6,10,29,28,3,30,19,8,22,5,13,18,11,14,15,25,17,12,36,16,4/E:(2,3)(6,7)(8,9)(10,11)(12,13)(14,15)(16,17)/rA:36cCCCOCCCCCCCOCCCONCCCCCCCNCCCCCCCCCCO/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;d31;s32;d33;d30s34;s14;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C30H32N2O4
All Atoms:36
Heavy Atoms:36
Chiral Atoms:1
ZAP Information [?]
Total:13.6362
Area:772.542
Solvation:-5.67731
Coulombic:-58.9423
Bond Count [?]
All:39
Single:27
Double:12
Rotors:10
Chiral:0
Rigid Segments:9
Chemical Properties
Molecular Weight:484.586
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:5.97
LogP (Chemaxon):4.68

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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