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Chemical ID: 6041858

CC1CCCCN1CCCNC(=O)CN2c3cc(ccc3OCC2=O)C(C)(C)C

Chemical ID:

6041858

Name [?]:

N-[3-(2-methyl-1-piperidyl)propyl]-2-(9-oxo-3-tert-butyl-7-oxa-10-azabicyclo[4.4.0]deca-2,4,11-trien-10-yl)-acetamide

SMILES [?]:

CC1CCCCN1CCCNC(=O)CN2c3cc(ccc3OCC2=O)C(C)(C)C

InChi [?]:

InChI=1/C23H35N3O3/c1-17-8-5-6-12-25(17)13-7-11-24-21(27)15-26-19-14-18(23(2,3)4)9-10-20(19)29-16-22(26)28/h9-10,14,17H,5-8,11-13,15-16H2,1-4H3,(H,24,27)

InChi Info:

AuxInfo=1/1/N:1,27,28,29,4,5,9,3,19,20,10,6,8,17,14,23,2,18,16,21,12,24,26,11,7,15,13,25,22/E:(2,3,4)/rA:29cCCCCCCNCCCNCOCNCCCCCCOCCOCCCC/rB:s1;s2;s3;s4;s5;s2s6;s7;s8;s9;s10;s11;d12;s12;s14;s15;s16;d17;s18;d19;d16s20;s21;s22;s15s23;d24;s18;s26;s26;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₃H₃₅N₃O₃
All Atoms:	29
Heavy Atoms:	29
Chiral Atoms:	2

ZAP Information [?]

Total:	11.9631
Area:	640.877
Solvation:	-4.05881
Coulombic:	-51.4373

Bond Count [?]

All:	31
Single:	26
Double:	5
Rotors:	8
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	401.542
H-Bond Donors:	1
H-Bond Acceptors:	6
XLogP:	3.32
LogP (Chemaxon):	2.32

Name Annotations

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

Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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

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