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Chemical ID: 5998810

CCCNC(=O)CN1CN(C2(C1=O)CCN(CC2)C(=O)C(C)(C)C)c3ccccc3

Chemical ID:

5998810

Name [?]:

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

SMILES [?]:

CCCNC(=O)CN1CN(C2(C1=O)CCN(CC2)C(=O)C(C)(C)C)c3ccccc3

InChi [?]:

InChI=1/C23H34N4O3/c1-5-13-24-19(28)16-26-17-27(18-9-7-6-8-10-18)23(21(26)30)11-14-25(15-12-23)20(29)22(2,3)4/h6-10H,5,11-17H2,1-4H3,(H,24,28)

InChi Info:

AuxInfo=1/1/N:1,22,23,24,2,28,27,29,26,30,14,18,3,15,17,7,9,25,5,19,12,21,11,4,16,8,10,6,20,13/E:(2,3,4)(7,8)(9,10)(11,12)(14,15)/rA:30cCCCNCOCNCNCCOCCNCCCOCCCCCCCCCC/rB:s1;s2;s3;s4;d5;s5;s7;s8;s9;s10;s8s11;d12;s11;s14;s15;s16;s11s17;s16;d19;s19;s21;s21;s21;s10;s25;d26;s27;d28;d25s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₃H₃₄N₄O₃
All Atoms:	30
Heavy Atoms:	30
Chiral Atoms:	1

ZAP Information [?]

Total:	11.369
Area:	628.479
Solvation:	-4.34297
Coulombic:	-62.1115

Bond Count [?]

All:	32
Single:	26
Double:	6
Rotors:	8
Chiral:	0
Rigid Segments:	7

Chemical Properties

Molecular Weight:	414.541
H-Bond Donors:	1
H-Bond Acceptors:	7
XLogP:	2.11
LogP (Chemaxon):	2.53

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