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Chemical ID: 3960676

CC(=O)c1cccc(c1)NC(=O)N2CCCC2C(=O)NCCc3ccc(c(c3)OC)OC

Chemical ID:

3960676

Name [?]:

N-(3-acetylphenyl)-N'-[2-(3,4-dimethoxyphenyl)ethyl]pyrrolidine-1,2-dicarboxamide

SMILES [?]:

CC(=O)c1cccc(c1)NC(=O)N2CCCC2C(=O)NCCc3ccc(c(c3)OC)OC

InChi [?]:

InChI=1/C24H29N3O5/c1-16(28)18-6-4-7-19(15-18)26-24(30)27-13-5-8-20(27)23(29)25-12-11-17-9-10-21(31-2)22(14-17)32-3/h4,6-7,9-10,14-15,20H,5,8,11-13H2,1-3H3,(H,25,29)(H,26,30)

InChi Info:

AuxInfo=1/1/N:1,32,30,6,15,5,7,16,24,25,22,21,14,28,9,2,23,4,8,17,26,27,18,11,20,10,13,3,19,12,31,29/rA:32cCCOCCCCCCNCONCCCCCONCCCCCCCCOCOC/rB:s1;d2;s2;s4;d5;s6;d7;d4s8;s8;s10;d11;s11;s13;s14;s15;s13s16;s17;d18;s18;s20;s21;s22;s23;d24;s25;d26;d23s27;s27;s29;s26;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₄H₂₉N₃O₅
All Atoms:	32
Heavy Atoms:	32
Chiral Atoms:	1

ZAP Information [?]

Total:	8.99304
Area:	705.113
Solvation:	-8.63478
Coulombic:	-71.6029

Bond Count [?]

All:	34
Single:	25
Double:	9
Rotors:	11
Chiral:	0
Rigid Segments:	9

Chemical Properties

Molecular Weight:	439.504
H-Bond Donors:	2
H-Bond Acceptors:	8
XLogP:	2.11
LogP (Chemaxon):	1.87

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