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Chemical ID: 5998996

CC(C)C(=O)N1CCC2(CC1)C(=O)N(CN2c3ccccc3)CC(=O)NCCCOC

Chemical ID:

5998996

Name [?]:

N-(3-methoxypropyl)-2-[8-(2-methylpropanoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]dec-3-yl]-acetamide

SMILES [?]:

CC(C)C(=O)N1CCC2(CC1)C(=O)N(CN2c3ccccc3)CC(=O)NCCCOC

InChi [?]:

InChI=1/C23H34N4O4/c1-18(2)21(29)25-13-10-23(11-14-25)22(30)26(16-20(28)24-12-7-15-31-3)17-27(23)19-8-5-4-6-9-19/h4-6,8-9,18H,7,10-17H2,1-3H3,(H,24,28)

InChi Info:

AuxInfo=1/1/N:1,3,31,20,19,21,28,18,22,8,10,27,7,11,29,23,15,2,17,24,4,12,9,26,6,14,16,25,5,13,30/E:(1,2)(5,6)(8,9)(10,11)(13,14)/rA:31cCCCCONCCCCCCONCNCCCCCCCCONCCCOC/rB:s1;s2;s2;d4;s4;s6;s7;s8;s9;s6s10;s9;d12;s12;s14;s9s15;s16;s17;d18;s19;d20;d17s21;s14;s23;d24;s24;s26;s27;s28;s29;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₃H₃₄N₄O₄
All Atoms:	31
Heavy Atoms:	31
Chiral Atoms:	1

ZAP Information [?]

Total:	10.1885
Area:	672.203
Solvation:	-6.61655
Coulombic:	-67.8429

Bond Count [?]

All:	33
Single:	27
Double:	6
Rotors:	10
Chiral:	0
Rigid Segments:	8

Chemical Properties

Molecular Weight:	430.541
H-Bond Donors:	1
H-Bond Acceptors:	8
XLogP:	1.3
LogP (Chemaxon):	0.94

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

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value