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Chemical ID: 5894320

COCCNC(=O)c1cc(ccc1N2CCCC2)NC(=O)NCc3ccccc3

Chemical ID:

5894320

Name [?]:

5-(benzylcarbamoylamino)-N-(2-methoxyethyl)-2-pyrrolidin-1-yl-benzamide

SMILES [?]:

COCCNC(=O)c1cc(ccc1N2CCCC2)NC(=O)NCc3ccccc3

InChi [?]:

InChI=1/C22H28N4O3/c1-29-14-11-23-21(27)19-15-18(9-10-20(19)26-12-5-6-13-26)25-22(28)24-16-17-7-3-2-4-8-17/h2-4,7-10,15H,5-6,11-14,16H2,1H3,(H,23,27)(H2,24,25,28)

InChi Info:

AuxInfo=1/1/N:1,27,26,28,16,17,25,29,11,12,4,15,18,3,9,23,24,10,8,13,6,20,5,22,19,14,7,21,2/E:(3,4)(5,6)(7,8)(12,13)/rA:29nCOCCNCOCCCCCCNCCCCNCONCCCCCCC/rB:s1;s2;s3;s4;s5;d6;s6;s8;d9;s10;d11;d8s12;s13;s14;s15;s16;s14s17;s10;s19;d20;s20;s22;s23;s24;d25;s26;d27;d24s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₂H₂₈N₄O₃
All Atoms:	29
Heavy Atoms:	29
Chiral Atoms:	0

ZAP Information [?]

Total:	11.0343
Area:	657.238
Solvation:	-5.39662
Coulombic:	-70.0092

Bond Count [?]

All:	31
Single:	23
Double:	8
Rotors:	11
Chiral:	0
Rigid Segments:	8

Chemical Properties

Molecular Weight:	396.483
H-Bond Donors:	3
H-Bond Acceptors:	7
XLogP:	2.56
LogP (Chemaxon):	2.45

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

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

Chemical Mix	Source	External ID	Descriptor	Value