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Chemical ID: 5971893

CCCCN(Cc1ccco1)c2ccc(cc2C(=O)NCCC)NC(=O)C3CCCC3

Chemical ID:

5971893

Name [?]:

2-(butyl-(2-furylmethyl)amino)-5-cyclopentylcarbonylamino-N-propyl-benzamide

SMILES [?]:

CCCCN(Cc1ccco1)c2ccc(cc2C(=O)NCCC)NC(=O)C3CCCC3

InChi [?]:

InChI=1/C25H35N3O3/c1-3-5-15-28(18-21-11-8-16-31-21)23-13-12-20(17-22(23)25(30)26-14-4-2)27-24(29)19-9-6-7-10-19/h8,11-13,16-17,19H,3-7,9-10,14-15,18H2,1-2H3,(H,26,30)(H,27,29)

InChi Info:

AuxInfo=1/1/N:1,23,2,22,3,29,30,9,28,31,8,14,13,21,4,10,16,6,27,15,7,17,12,25,18,20,24,5,26,19,11/E:(6,7)(9,10)/rA:31cCCCCNCCCCCOCCCCCCCONCCCNCOCCCCC/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;s7s10;s5;s12;d13;s14;d15;d12s16;s17;d18;s18;s20;s21;s22;s15;s24;d25;s25;s27;s28;s29;s27s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₅H₃₅N₃O₃
All Atoms:	31
Heavy Atoms:	31
Chiral Atoms:	1

ZAP Information [?]

Total:	11.7148
Area:	689.228
Solvation:	-5.51591
Coulombic:	-54.4304

Bond Count [?]

All:	33
Single:	26
Double:	7
Rotors:	13
Chiral:	0
Rigid Segments:	9

Chemical Properties

Molecular Weight:	425.564
H-Bond Donors:	2
H-Bond Acceptors:	5
XLogP:	4.77
LogP (Chemaxon):	4.76

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