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Chemical ID: 5282210

CC(C)COc1ccc(cc1)C(=O)C2=C(C(=O)N(C2c3ccccc3)CCCN(C)C)O

Chemical ID:

5282210

Name [?]:

1-(3-dimethylaminopropyl)-3-hydroxy-4-(4-isobutoxybenzoyl)-5-phenyl-5H-pyrrol-2-one

SMILES [?]:

CC(C)COc1ccc(cc1)C(=O)C2=C(C(=O)N(C2c3ccccc3)CCCN(C)C)O

InChi [?]:

InChI=1/C26H32N2O4/c1-18(2)17-32-21-13-11-20(12-14-21)24(29)22-23(19-9-6-5-7-10-19)28(26(31)25(22)30)16-8-15-27(3)4/h5-7,9-14,18,23,30H,8,15-17H2,1-4H3

InChi Info:

AuxInfo=1/0/N:1,3,30,31,23,22,24,27,21,25,8,10,7,11,28,26,4,2,20,9,6,14,19,12,15,16,29,18,13,32,17,5/E:(1,2)(3,4)(6,7)(9,10)(11,12)(13,14)/rA:32cCCCCOCCCCCCCOCCCONCCCCCCCCCCNCCO/rB:s1;s2;s2;s4;s5;s6;d7;s8;d9;d6s10;s9;d12;s12;d14;s15;d16;s16;s14s18;s19;s20;d21;s22;d23;d20s24;s18;s26;s27;s28;s29;s29;s15;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₆H₃₂N₂O₄
All Atoms:	32
Heavy Atoms:	32
Chiral Atoms:	1

ZAP Information [?]

Total:	12.6141
Area:	713.666
Solvation:	-5.22753
Coulombic:	-57.0816

Bond Count [?]

All:	34
Single:	25
Double:	9
Rotors:	10
Chiral:	0
Rigid Segments:	8

Chemical Properties

Molecular Weight:	436.543
H-Bond Donors:	1
H-Bond Acceptors:	6
XLogP:	4.4
LogP (Chemaxon):	0.37

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

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