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Chemical ID: 4578664

CC(C)CC(C(=O)N1CCC(CC1)C(=O)NC(C(C)C)C(=O)NCc2ccccc2OC)N

Chemical ID:

4578664

Name [?]:

1-(2-amino-4-methyl-pentanoyl)-N-[1-[(2-methoxyphenyl)methylcarbamoyl]-2-methyl-propyl]-piperidine-4-carboxamide

SMILES [?]:

CC(C)CC(C(=O)N1CCC(CC1)C(=O)NC(C(C)C)C(=O)NCc2ccccc2OC)N

InChi [?]:

InChI=1/C25H40N4O4/c1-16(2)14-20(26)25(32)29-12-10-18(11-13-29)23(30)28-22(17(3)4)24(31)27-15-19-8-6-7-9-21(19)33-5/h6-9,16-18,20,22H,10-15,26H2,1-5H3,(H,27,31)(H,28,30)

InChi Info:

AuxInfo=1/1/N:1,3,19,20,32,27,28,26,29,10,12,9,13,4,24,2,18,11,25,5,30,17,14,21,6,33,23,16,8,15,22,7,31/E:(1,2)(3,4)(10,11)(12,13)/rA:33cCCCCCCONCCCCCCONCCCCCONCCCCCCCOCN/rB:s1;s2;s2;s4;s5;d6;s6;s8;s9;s10;s11;s8s12;s11;d14;s14;s16;s17;s18;s18;s17;d21;s21;s23;s24;s25;d26;s27;d28;d25s29;s30;s31;s5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₅H₄₀N₄O₄
All Atoms:	33
Heavy Atoms:	33
Chiral Atoms:	2

ZAP Information [?]

Total:	12.8027
Area:	731.903
Solvation:	-5.49492
Coulombic:	-79.2711

Bond Count [?]

All:	34
Single:	28
Double:	6
Rotors:	13
Chiral:	0
Rigid Segments:	11

Chemical Properties

Molecular Weight:	460.61
H-Bond Donors:	4
H-Bond Acceptors:	8
XLogP:	2.39
LogP (Chemaxon):	1.58

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