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Chemical ID: 5896273

CCC(c1ccccc1)C(=O)Nc2ccc(c(c2)C(=O)NCCN(CC)CC)N3CCC(CC3)C

Chemical ID:

5896273

Name [?]:

N-(2-diethylaminoethyl)-2-(4-methyl-1-piperidyl)-5-(2-phenylbutanoylamino)benzamide

SMILES [?]:

CCC(c1ccccc1)C(=O)Nc2ccc(c(c2)C(=O)NCCN(CC)CC)N3CCC(CC3)C

InChi [?]:

InChI=1/C29H42N4O2/c1-5-25(23-11-9-8-10-12-23)29(35)31-24-13-14-27(33-18-15-22(4)16-19-33)26(21-24)28(34)30-17-20-32(6-2)7-3/h8-14,21-22,25H,5-7,15-20H2,1-4H3,(H,30,34)(H,31,35)

InChi Info:

AuxInfo=1/1/N:1,26,28,35,2,25,27,7,6,8,5,9,14,15,31,33,22,30,34,23,18,32,4,13,3,17,16,19,10,21,12,24,29,20,11/E:(2,3)(6,7)(9,10)(11,12)(15,16)(18,19)/rA:35cCCCCCCCCCCONCCCCCCCONCCNCCCCNCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s3;d10;s10;s12;s13;d14;s15;d16;d13s17;s17;d19;s19;s21;s22;s23;s24;s25;s24;s27;s16;s29;s30;s31;s32;s29s33;s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₉H₄₂N₄O₂
All Atoms:	35
Heavy Atoms:	35
Chiral Atoms:	1

ZAP Information [?]

Total:	14.8866
Area:	779.223
Solvation:	-4.59396
Coulombic:	-54.3727

Bond Count [?]

All:	37
Single:	29
Double:	8
Rotors:	13
Chiral:	0
Rigid Segments:	10

Chemical Properties

Molecular Weight:	478.67
H-Bond Donors:	2
H-Bond Acceptors:	6
XLogP:	5.27
LogP (Chemaxon):	5.05

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

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Chemical Mix	Source	External ID	Descriptor	Value