Chemical ID: 4853494

CCCOc1ccc(cc1)C(=O)C2=C(C(=O)N(C2c3ccccc3)CCCN(C)C)O
Chemical ID:
4853494
Name [?]:
1-(3-dimethylaminopropyl)-3-hydroxy-5-phenyl-4-(4-propoxybenzoyl)-5H-pyrrol-2-one
SMILES [?]:
CCCOc1ccc(cc1)C(=O)C2=C(C(=O)N(C2c3ccccc3)CCCN(C)C)O
InChi [?]:
InChI=1/C25H30N2O4/c1-4-17-31-20-13-11-19(12-14-20)23(28)21-22(18-9-6-5-7-10-18)27(25(30)24(21)29)16-8-15-26(2)3/h5-7,9-14,22,29H,4,8,15-17H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,29,30,2,22,21,23,26,20,24,7,9,6,10,27,25,3,19,8,5,13,18,11,14,15,28,17,12,31,16,4/E:(2,3)(6,7)(9,10)(11,12)(13,14)/rA:31cCCCOCCCCCCCOCCCONCCCCCCCCCCNCCO/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s8;d11;s11;d13;s14;d15;s15;s13s17;s18;s19;d20;s21;d22;d19s23;s17;s25;s26;s27;s28;s28;s14;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C25H30N2O4
All Atoms:31
Heavy Atoms:31
Chiral Atoms:1
ZAP Information [?]
Total:12.0645
Area:693.292
Solvation:-5.26775
Coulombic:-56.759
Bond Count [?]
All:33
Single:24
Double:9
Rotors:10
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:422.517
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:4.11
LogP (Chemaxon):-0.03

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Descriptor Annotations

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