Chemical ID: 4353105

CCCCN1C(C(=C(C1=O)O)C(=O)c2ccc(cc2)C)c3ccc(cc3)N(C)C
Chemical ID:
4353105
Name [?]:
1-butyl-5-(4-dimethylaminophenyl)-3-hydroxy-4-(4-methylbenzoyl)-5H-pyrrol-2-one
SMILES [?]:
CCCCN1C(C(=C(C1=O)O)C(=O)c2ccc(cc2)C)c3ccc(cc3)N(C)C
InChi [?]:
InChI=1/C24H28N2O3/c1-5-6-15-26-21(17-11-13-19(14-12-17)25(3)4)20(23(28)24(26)29)22(27)18-9-7-16(2)8-10-18/h7-14,21,28H,5-6,15H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,20,28,29,2,3,16,18,15,19,22,26,23,25,4,17,21,14,24,7,6,12,8,9,27,5,13,11,10/E:(3,4)(7,8)(9,10)(11,12)(13,14)/rA:29cCCCCNCCCCOOCOCCCCCCCCCCCCCNCC/rB:s1;s2;s3;s4;s5;s6;d7;s5s8;d9;s8;s7;d12;s12;s14;d15;s16;d17;d14s18;s17;s6;s21;d22;s23;d24;d21s25;s24;s27;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H28N2O3
All Atoms:29
Heavy Atoms:29
Chiral Atoms:1
ZAP Information [?]
Total:11.6563
Area:628.696
Solvation:-4.0611
Coulombic:-50.8236
Bond Count [?]
All:31
Single:22
Double:9
Rotors:7
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:392.491
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:5.19
LogP (Chemaxon):3.82

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Descriptor Annotations

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