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Chemical ID: 5999230

CC(C)c1ccc(cc1)NC(=O)N2CCC3(CC2)C(=O)N(CN3c4ccccc4)CC(=O)NC

Chemical ID:

5999230

Name [?]:

N-(4-isopropylphenyl)-3-(methylcarbamoylmethyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxamide

SMILES [?]:

CC(C)c1ccc(cc1)NC(=O)N2CCC3(CC2)C(=O)N(CN3c4ccccc4)CC(=O)NC

InChi [?]:

InChI=1/C26H33N5O3/c1-19(2)20-9-11-21(12-10-20)28-25(34)29-15-13-26(14-16-29)24(33)30(17-23(32)27-3)18-31(26)22-7-5-4-6-8-22/h4-12,19H,13-18H2,1-3H3,(H,27,32)(H,28,34)

InChi Info:

AuxInfo=1/1/N:1,3,34,27,26,28,25,29,5,9,6,8,15,17,14,18,30,22,2,4,7,24,31,19,11,16,33,10,13,21,23,32,20,12/E:(1,2)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)/rA:34cCCCCCCCCCNCONCCCCCCONCNCCCCCCCCONC/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s7;s10;d11;s11;s13;s14;s15;s16;s13s17;s16;d19;s19;s21;s16s22;s23;s24;d25;s26;d27;d24s28;s21;s30;d31;s31;s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₆H₃₃N₅O₃
All Atoms:	34
Heavy Atoms:	34
Chiral Atoms:	1

ZAP Information [?]

Total:	12.3866
Area:	699.062
Solvation:	-5.08995
Coulombic:	-75.5931

Bond Count [?]

All:	37
Single:	28
Double:	9
Rotors:	8
Chiral:	0
Rigid Segments:	7

Chemical Properties

Molecular Weight:	463.572
H-Bond Donors:	2
H-Bond Acceptors:	8
XLogP:	3.19
LogP (Chemaxon):	3.19

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