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Chemical ID: 6032543

Cc1cc(c(o1)C)C(=O)N2CCCC(C2)C(=O)NCCC(c3ccccc3)c4ccccc4

Chemical ID:

6032543

Name [?]:

1-[(2,5-dimethyl-3-furyl)carbonyl]-N-(3,3-diphenylpropyl)piperidine-3-carboxamide

SMILES [?]:

Cc1cc(c(o1)C)C(=O)N2CCCC(C2)C(=O)NCCC(c3ccccc3)c4ccccc4

InChi [?]:

InChI=1/C28H32N2O3/c1-20-18-26(21(2)33-20)28(32)30-17-9-14-24(19-30)27(31)29-16-15-25(22-10-5-3-6-11-22)23-12-7-4-8-13-23/h3-8,10-13,18,24-25H,9,14-17,19H2,1-2H3,(H,29,31)

InChi Info:

AuxInfo=1/1/N:1,7,25,31,24,26,30,32,12,23,27,29,33,13,20,19,11,3,15,2,5,22,28,14,21,4,16,8,18,10,17,9,6/E:(3,4)(5,6,7,8)(10,11,12,13)(22,23)/rA:33cCCCCCOCCONCCCCCCONCCCCCCCCCCCCCCC/rB:s1;d2;s3;d4;s2s5;s5;s4;d8;s8;s10;s11;s12;s13;s10s14;s14;d16;s16;s18;s19;s20;s21;s22;d23;s24;d25;d22s26;s21;s28;d29;s30;d31;d28s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₈H₃₂N₂O₃
All Atoms:	33
Heavy Atoms:	33
Chiral Atoms:	1

ZAP Information [?]

Total:	13.6275
Area:	714.14
Solvation:	-4.22598
Coulombic:	-46.9375

Bond Count [?]

All:	36
Single:	26
Double:	10
Rotors:	9
Chiral:	0
Rigid Segments:	8

Chemical Properties

Molecular Weight:	444.565
H-Bond Donors:	1
H-Bond Acceptors:	4
XLogP:	4.07
LogP (Chemaxon):	3.95

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