Chemical ID: 6149250

CCN(CC)CCCN1C(C(=C(C1=O)O)C(=O)c2cc(ccc2C)C)c3ccc(cc3)C
Chemical ID:
6149250
Name [?]:
1-(3-diethylaminopropyl)-4-(2,5-dimethylbenzoyl)-3-hydroxy-5-(p-tolyl)-5H-pyrrol-2-one
SMILES [?]:
CCN(CC)CCCN1C(C(=C(C1=O)O)C(=O)c2cc(ccc2C)C)c3ccc(cc3)C
InChi [?]:
InChI=1/C27H34N2O3/c1-6-28(7-2)15-8-16-29-24(21-13-10-18(3)11-14-21)23(26(31)27(29)32)25(30)22-17-19(4)9-12-20(22)5/h9-14,17,24,31H,6-8,15-16H2,1-5H3
InChi Info:
AuxInfo=1/0/N:1,5,32,25,24,2,4,7,21,28,30,22,27,31,6,8,19,29,20,23,26,18,11,10,16,12,13,3,9,17,15,14/E:(1,2)(6,7)(10,11)(13,14)/rA:32cCCNCCCCCNCCCCOOCOCCCCCCCCCCCCCCC/rB:s1;s2;s3;s4;s3;s6;s7;s8;s9;s10;d11;s9s12;d13;s12;s11;d16;s16;s18;d19;s20;d21;d18s22;s23;s20;s10;s26;d27;s28;d29;d26s30;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C27H34N2O3
All Atoms:32
Heavy Atoms:32
Chiral Atoms:1
ZAP Information [?]
Total:12.291
Area:659.605
Solvation:-4.19915
Coulombic:-49.3457
Bond Count [?]
All:34
Single:25
Double:9
Rotors:9
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:434.571
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:5.57
LogP (Chemaxon):1.46

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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