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Chemical ID: 5892072

CCC(c1ccccc1)C(=O)Nc2ccc(c(c2)C(=O)NCCN(CC)CC)N3CCCCC3

Chemical ID:

5892072

Name [?]:

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

SMILES [?]:

CCC(c1ccccc1)C(=O)Nc2ccc(c(c2)C(=O)NCCN(CC)CC)N3CCCCC3

InChi [?]:

InChI=1/C28H40N4O2/c1-4-24(22-13-9-7-10-14-22)28(34)30-23-15-16-26(32-18-11-8-12-19-32)25(21-23)27(33)29-17-20-31(5-2)6-3/h7,9-10,13-16,21,24H,4-6,8,11-12,17-20H2,1-3H3,(H,29,33)(H,30,34)

InChi Info:

AuxInfo=1/1/N:1,26,28,2,25,27,7,32,6,8,31,33,5,9,14,15,22,30,34,23,18,4,13,3,17,16,19,10,21,12,24,29,20,11/E:(2,3)(5,6)(9,10)(11,12)(13,14)(18,19)/rA:34cCCCCCCCCCCONCCCCCCCONCCNCCCCNCCCCC/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;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₈H₄₀N₄O₂
All Atoms:	34
Heavy Atoms:	34
Chiral Atoms:	1

ZAP Information [?]

Total:	14.3334
Area:	757.555
Solvation:	-4.60546
Coulombic:	-54.093

Bond Count [?]

All:	36
Single:	28
Double:	8
Rotors:	13
Chiral:	0
Rigid Segments:	10

Chemical Properties

Molecular Weight:	464.643
H-Bond Donors:	2
H-Bond Acceptors:	6
XLogP:	4.76
LogP (Chemaxon):	4.72

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

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Chemical Mix	Source	External ID	Descriptor	Value