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Chemical ID: 6028172

CCN(CC)CCCC(C)NC(=O)CC(Cc1ccccc1)c2cn(c3c2cccc3)C

Chemical ID:

6028172

Name [?]:

N-(4-diethylamino-1-methyl-butyl)-3-(1-methylindol-3-yl)-4-phenyl-butanamide

SMILES [?]:

CCN(CC)CCCC(C)NC(=O)CC(Cc1ccccc1)c2cn(c3c2cccc3)C

InChi [?]:

InChI=1/C28H39N3O/c1-5-31(6-2)18-12-13-22(3)29-28(32)20-24(19-23-14-8-7-9-15-23)26-21-30(4)27-17-11-10-16-25(26)27/h7-11,14-17,21-22,24H,5-6,12-13,18-20H2,1-4H3,(H,29,32)

InChi Info:

AuxInfo=1/1/N:1,5,10,32,2,4,20,19,21,29,30,7,8,18,22,28,31,6,16,14,24,9,17,15,27,23,26,12,11,25,3,13/E:(1,2)(5,6)(8,9)(14,15)/rA:32cCCNCCCCCCCNCOCCCCCCCCCCCNCCCCCCC/rB:s1;s2;s3;s4;s3;s6;s7;s8;s9;s9;s11;d12;s12;s14;s15;s16;s17;d18;s19;d20;d17s21;s15;d23;s24;s25;s23s26;d27;s28;d29;d26s30;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₈H₃₉N₃O
All Atoms:	32
Heavy Atoms:	32
Chiral Atoms:	2

ZAP Information [?]

Total:	14.1663
Area:	717.46
Solvation:	-3.77017
Coulombic:	-33.1718

Bond Count [?]

All:	34
Single:	26
Double:	8
Rotors:	13
Chiral:	0
Rigid Segments:	9

Chemical Properties

Molecular Weight:	433.629
H-Bond Donors:	1
H-Bond Acceptors:	3
XLogP:	5.61
LogP (Chemaxon):	5.63

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