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Chemical ID: 5892977

c1cc(c(cc1NC(=O)C2CCCC2)C(=O)NCC3CCCO3)N4CCCC4

Chemical ID:

5892977

Name [?]:

5-cyclopentylcarbonylamino-2-pyrrolidin-1-yl-N-(tetrahydrofuran-2-ylmethyl)benzamide

SMILES [?]:

c1cc(c(cc1NC(=O)C2CCCC2)C(=O)NCC3CCCO3)N4CCCC4

InChi [?]:

InChI=1/C22H31N3O3/c26-21(16-6-1-2-7-16)24-17-9-10-20(25-11-3-4-12-25)19(14-17)22(27)23-15-18-8-5-13-28-18/h9-10,14,16,18H,1-8,11-13,15H2,(H,23,27)(H,24,26)

InChi Info:

AuxInfo=1/1/N:12,13,26,27,21,11,14,20,1,2,25,28,22,5,18,10,6,19,4,3,8,15,17,7,24,9,16,23/E:(1,2)(3,4)(6,7)(11,12)/rA:28cCCCCCCNCOCCCCCCONCCCCCONCCCC/rB:s1;d2;s3;d4;d1s5;s6;s7;d8;s8;s10;s11;s12;s10s13;s4;d15;s15;s17;s18;s19;s20;s21;s19s22;s3;s24;s25;s26;s24s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₂H₃₁N₃O₃
All Atoms:	28
Heavy Atoms:	28
Chiral Atoms:	1

ZAP Information [?]

Total:	10.5908
Area:	624.537
Solvation:	-5.0226
Coulombic:	-54.8383

Bond Count [?]

All:	31
Single:	26
Double:	5
Rotors:	8
Chiral:	0
Rigid Segments:	7

Chemical Properties

Molecular Weight:	385.5
H-Bond Donors:	2
H-Bond Acceptors:	6
XLogP:	3.09
LogP (Chemaxon):	2.57

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