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Chemical ID: 6116464

CC(C)C(C(=O)Nc1ccc(cc1)N(C)C)N(Cc2ccccc2)C(=O)CN3c4ccccc4C(=O)C3=O

Chemical ID:

6116464

Name [?]:

2-[benzyl-[2-(2,3-dioxoindolin-1-yl)acetyl]-amino]-N-(4-dimethylaminophenyl)-3-methyl-butanamide

SMILES [?]:

CC(C)C(C(=O)Nc1ccc(cc1)N(C)C)N(Cc2ccccc2)C(=O)CN3c4ccccc4C(=O)C3=O

InChi [?]:

InChI=1/C30H32N4O4/c1-20(2)27(29(37)31-22-14-16-23(17-15-22)32(3)4)34(18-21-10-6-5-7-11-21)26(35)19-33-25-13-9-8-12-24(25)28(36)30(33)38/h5-17,20,27H,18-19H2,1-4H3,(H,31,37)

InChi Info:

AuxInfo=1/1/N:1,3,15,16,22,21,23,32,31,20,24,33,30,9,13,10,12,18,27,2,19,8,11,34,29,25,4,35,5,37,7,14,28,17,26,36,6,38/E:(1,2)(3,4)(6,7)(10,11)(14,15)(16,17)/rA:38cCCCCCONCCCCCCNCCNCCCCCCCCOCNCCCCCCCOCO/rB:s1;s2;s2;s4;d5;s5;s7;s8;d9;s10;d11;d8s12;s11;s14;s14;s4;s17;s18;s19;d20;s21;d22;d19s23;s17;d25;s25;s27;s28;s29;d30;s31;d32;d29s33;s34;d35;s28s35;d37;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₃₀H₃₂N₄O₄
All Atoms:	38
Heavy Atoms:	38
Chiral Atoms:	1

ZAP Information [?]

Total:	13.3555
Area:	729.65
Solvation:	-4.88575
Coulombic:	-73.5433

Bond Count [?]

All:	41
Single:	28
Double:	13
Rotors:	11
Chiral:	0
Rigid Segments:	8

Chemical Properties

Molecular Weight:	512.6
H-Bond Donors:	1
H-Bond Acceptors:	8
XLogP:	3.88
LogP (Chemaxon):	4.58

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value