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Chemical ID: 5890033

Cc1ccccc1C(=O)Nc2ccc(c(c2)C(=O)NCC(C)C)N3CCN(CC3)c4ccccc4OC

Chemical ID:

5890033

Name [?]:

N-isobutyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]-5-(2-methylbenzoyl)amino-benzamide

SMILES [?]:

Cc1ccccc1C(=O)Nc2ccc(c(c2)C(=O)NCC(C)C)N3CCN(CC3)c4ccccc4OC

InChi [?]:

InChI=1/C30H36N4O3/c1-21(2)20-31-29(35)25-19-23(32-30(36)24-10-6-5-9-22(24)3)13-14-26(25)33-15-17-34(18-16-33)27-11-7-8-12-28(27)37-4/h5-14,19,21H,15-18,20H2,1-4H3,(H,31,35)(H,32,36)

InChi Info:

AuxInfo=1/1/N:22,23,1,37,4,5,32,33,3,6,31,34,12,13,25,29,26,28,16,20,21,2,11,7,15,14,30,35,17,8,19,10,24,27,18,9,36/E:(1,2)(15,16)(17,18)/rA:37nCCCCCCCCONCCCCCCCONCCCCNCCNCCCCCCCCOC/rB:s1;s2;d3;s4;d5;d2s6;s7;d8;s8;s10;s11;d12;s13;d14;d11s15;s15;d17;s17;s19;s20;s21;s21;s14;s24;s25;s26;s27;s24s28;s27;s30;d31;s32;d33;d30s34;s35;s36;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₃₀H₃₆N₄O₃
All Atoms:	37
Heavy Atoms:	37
Chiral Atoms:	0

ZAP Information [?]

Total:	13.2073
Area:	771.617
Solvation:	-6.08312
Coulombic:	-64.0783

Bond Count [?]

All:	40
Single:	29
Double:	11
Rotors:	10
Chiral:	0
Rigid Segments:	9

Chemical Properties

Molecular Weight:	500.632
H-Bond Donors:	2
H-Bond Acceptors:	7
XLogP:	5.85
LogP (Chemaxon):	5.65

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