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Chemical ID: 5894269

CCc1ccc(cc1)NC(=O)Nc2ccc(c(c2)C(=O)NC(C)c3ccccc3)N4CCC(CC4)C

Chemical ID:

5894269

Name [?]:

5-[(4-ethylphenyl)carbamoylamino]-2-(4-methyl-1-piperidyl)-N-(1-phenylethyl)benzamide

SMILES [?]:

CCc1ccc(cc1)NC(=O)Nc2ccc(c(c2)C(=O)NC(C)c3ccccc3)N4CCC(CC4)C

InChi [?]:

InChI=1/C30H36N4O2/c1-4-23-10-12-25(13-11-23)32-30(36)33-26-14-15-28(34-18-16-21(2)17-19-34)27(20-26)29(35)31-22(3)24-8-6-5-7-9-24/h5-15,20-22H,4,16-19H2,1-3H3,(H,31,35)(H2,32,33,36)

InChi Info:

AuxInfo=1/1/N:1,36,23,2,27,26,28,25,29,4,8,5,7,14,15,32,34,31,35,18,33,22,3,24,6,13,17,16,19,10,21,9,12,30,20,11/E:(6,7)(8,9)(10,11)(12,13)(16,17)(18,19)/rA:36cCCCCCCCCNCONCCCCCCCONCCCCCCCCNCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;d10;s10;s12;s13;d14;s15;d16;d13s17;s17;d19;s19;s21;s22;s22;s24;d25;s26;d27;d24s28;s16;s30;s31;s32;s33;s30s34;s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₃₀H₃₆N₄O₂
All Atoms:	36
Heavy Atoms:	36
Chiral Atoms:	1

ZAP Information [?]

Total:	15.066
Area:	766.393
Solvation:	-4.09378
Coulombic:	-64.0957

Bond Count [?]

All:	39
Single:	28
Double:	11
Rotors:	10
Chiral:	0
Rigid Segments:	8

Chemical Properties

Molecular Weight:	484.633
H-Bond Donors:	3
H-Bond Acceptors:	6
XLogP:	6.6
LogP (Chemaxon):	6.77

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