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Chemical ID: 5895998

CCCCOc1ccc(cc1)C(=O)Nc2ccc(c(c2)C(=O)NC3CC3)N4CCC(CC4)C

Chemical ID:

5895998

Name [?]:

5-(4-butoxybenzoyl)amino-N-cyclopropyl-2-(4-methyl-1-piperidyl)-benzamide

SMILES [?]:

CCCCOc1ccc(cc1)C(=O)Nc2ccc(c(c2)C(=O)NC3CC3)N4CCC(CC4)C

InChi [?]:

InChI=1/C27H35N3O3/c1-3-4-17-33-23-10-5-20(6-11-23)26(31)29-22-9-12-25(30-15-13-19(2)14-16-30)24(18-22)27(32)28-21-7-8-21/h5-6,9-12,18-19,21H,3-4,7-8,13-17H2,1-2H3,(H,28,32)(H,29,31)

InChi Info:

AuxInfo=1/1/N:1,33,2,3,8,10,25,26,16,7,11,17,29,31,28,32,4,20,30,9,24,15,6,19,18,12,21,23,14,27,13,22,5/E:(5,6)(7,8)(10,11)(13,14)(15,16)/rA:33nCCCCOCCCCCCCONCCCCCCCONCCCNCCCCCC/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;d6s10;s9;d12;s12;s14;s15;d16;s17;d18;d15s19;s19;d21;s21;s23;s24;s24s25;s18;s27;s28;s29;s30;s27s31;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₇H₃₅N₃O₃
All Atoms:	33
Heavy Atoms:	33
Chiral Atoms:	0

ZAP Information [?]

Total:	13.4616
Area:	737.828
Solvation:	-4.98411
Coulombic:	-56.7682

Bond Count [?]

All:	36
Single:	28
Double:	8
Rotors:	11
Chiral:	0
Rigid Segments:	8

Chemical Properties

Molecular Weight:	449.585
H-Bond Donors:	2
H-Bond Acceptors:	6
XLogP:	5.79
LogP (Chemaxon):	4.67

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