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Chemical ID: 5273334

Chemical ID:

5273334

Name [?]:

methyl 2-(3-dibutylaminopropylcarbamoylamino)-3-methyl-pentanoate

SMILES [?]:

CCCCN(CCCC)CCCNC(=O)NC(C(C)CC)C(=O)OC

InChi [?]:

InChI=1/C19H39N3O3/c1-6-9-13-22(14-10-7-2)15-11-12-20-19(24)21-17(16(4)8-3)18(23)25-5/h16-17H,6-15H2,1-5H3,(H2,20,21,24)

InChi Info:

AuxInfo=1/1/N:1,9,21,19,25,2,8,20,3,7,11,12,4,6,10,18,17,22,14,13,16,5,23,15,24/E:(1,2)(6,7)(9,10)(13,14)/rA:25cCCCCNCCCCCCCNCONCCCCCCOOC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s5;s10;s11;s12;s13;d14;s14;s16;s17;s18;s18;s20;s17;d22;s22;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₉H₃₉N₃O₃
All Atoms:	25
Heavy Atoms:	25
Chiral Atoms:	2

ZAP Information [?]

Total:	14.0417
Area:	665.658
Solvation:	-2.59972
Coulombic:	-61.4249

Bond Count [?]

All:	24
Single:	22
Double:	2
Rotors:	17
Chiral:	0
Rigid Segments:	12

Chemical Properties

Molecular Weight:	357.531
H-Bond Donors:	2
H-Bond Acceptors:	6
XLogP:	3.71
LogP (Chemaxon):	2.72

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