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Chemical ID: 4391953

Cc1ccc(cc1)C2C(=C(C(=O)N2CCCN(C)C)O)C(=O)c3ccc(cc3)OC

Chemical ID:

4391953

Name [?]:

1-(3-dimethylaminopropyl)-3-hydroxy-4-(4-methoxybenzoyl)-5-(p-tolyl)-5H-pyrrol-2-one

SMILES [?]:

Cc1ccc(cc1)C2C(=C(C(=O)N2CCCN(C)C)O)C(=O)c3ccc(cc3)OC

InChi [?]:

InChI=1/C24H28N2O4/c1-16-6-8-17(9-7-16)21-20(22(27)18-10-12-19(30-4)13-11-18)23(28)24(29)26(21)15-5-14-25(2)3/h6-13,21,28H,5,14-15H2,1-4H3

InChi Info:

AuxInfo=1/0/N:1,18,19,30,15,3,7,4,6,24,28,25,27,16,14,2,5,23,26,9,8,21,10,11,17,13,22,20,12,29/E:(2,3)(6,7)(8,9)(10,11)(12,13)/rA:30cCCCCCCCCCCCONCCCNCCOCOCCCCCCOC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s10;d11;s8s11;s13;s14;s15;s16;s17;s17;s10;s9;d21;s21;s23;d24;s25;d26;d23s27;s26;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₄H₂₈N₂O₄
All Atoms:	30
Heavy Atoms:	30
Chiral Atoms:	1

ZAP Information [?]

Total:	11.1716
Area:	662.478
Solvation:	-5.39034
Coulombic:	-55.7749

Bond Count [?]

All:	32
Single:	23
Double:	9
Rotors:	8
Chiral:	0
Rigid Segments:	7

Chemical Properties

Molecular Weight:	408.49
H-Bond Donors:	1
H-Bond Acceptors:	6
XLogP:	3.76
LogP (Chemaxon):	-0.35

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

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

Chemical Mix	Source	External ID	Descriptor	Value