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Chemical ID: 4647505

CCOc1ccccc1C2C(=C(C(=O)N2CCN(C)C)O)C(=O)c3ccc(cc3C)OC

Chemical ID:

4647505

Name [?]:

1-(2-dimethylaminoethyl)-5-(2-ethoxyphenyl)-3-hydroxy-4-(4-methoxy-2-methyl-benzoyl)-5H-pyrrol-2-one

SMILES [?]:

CCOc1ccccc1C2C(=C(C(=O)N2CCN(C)C)O)C(=O)c3ccc(cc3C)OC

InChi [?]:

InChI=1/C25H30N2O5/c1-6-32-20-10-8-7-9-19(20)22-21(24(29)25(30)27(22)14-13-26(3)4)23(28)18-12-11-17(31-5)15-16(18)2/h7-12,15,22,29H,6,13-14H2,1-5H3

InChi Info:

AuxInfo=1/0/N:1,30,19,20,32,2,7,6,8,5,26,25,17,16,28,29,27,24,9,4,11,10,22,12,13,18,15,23,21,14,31,3/E:(3,4)/rA:32cCCOCCCCCCCCCCONCCNCCOCOCCCCCCCOC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;d11;s12;d13;s10s13;s15;s16;s17;s18;s18;s12;s11;d22;s22;s24;d25;s26;d27;d24s28;s29;s27;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₅H₃₀N₂O₅
All Atoms:	32
Heavy Atoms:	32
Chiral Atoms:	1

ZAP Information [?]

Total:	10.5633
Area:	654.377
Solvation:	-5.79611
Coulombic:	-62.9739

Bond Count [?]

All:	34
Single:	25
Double:	9
Rotors:	9
Chiral:	0
Rigid Segments:	8

Chemical Properties

Molecular Weight:	438.516
H-Bond Donors:	1
H-Bond Acceptors:	7
XLogP:	3.74
LogP (Chemaxon):	0.06

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value