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Chemical ID: 5785146

CC(C)CNC(=O)C(=O)NCc1cccc(c1)CNC(=O)C(=O)NCC(C)C

Chemical ID:

5785146

Name [?]:

N-isobutyl-N'-[[3-[(isobutylcarbamoylformyl)aminomethyl]phenyl]methyl]oxamide

SMILES [?]:

CC(C)CNC(=O)C(=O)NCc1cccc(c1)CNC(=O)C(=O)NCC(C)C

InChi [?]:

InChI=1/C20H30N4O4/c1-13(2)9-21-17(25)19(27)23-11-15-6-5-7-16(8-15)12-24-20(28)18(26)22-10-14(3)4/h5-8,13-14H,9-12H2,1-4H3,(H,21,25)(H,22,26)(H,23,27)(H,24,28)

InChi Info:

AuxInfo=1/1/N:1,3,27,28,14,13,15,17,4,25,11,18,2,26,12,16,6,22,8,20,5,24,10,19,7,23,9,21/E:(1,2,3,4)(6,7)(9,10)(11,12)(13,14)(15,16)(17,18)(19,20)(21,22)(23,24)(25,26)(27,28)/gE:(1,2)(3,4)/rA:28nCCCCNCOCONCCCCCCCCNCOCONCCCC/rB:s1;s2;s2;s4;s5;d6;s6;d8;s8;s10;s11;s12;d13;s14;d15;d12s16;s16;s18;s19;d20;s20;d22;s22;s24;s25;s26;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₀H₃₀N₄O₄
All Atoms:	28
Heavy Atoms:	28
Chiral Atoms:	0

ZAP Information [?]

Total:	14.6051
Area:	699.488
Solvation:	-2.88214
Coulombic:	-95.8875

Bond Count [?]

All:	28
Single:	21
Double:	7
Rotors:	14
Chiral:	0
Rigid Segments:	11

Chemical Properties

Molecular Weight:	390.477
H-Bond Donors:	4
H-Bond Acceptors:	8
XLogP:	1.34
LogP (Chemaxon):	0.98

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