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Chemical ID: 5895396

COCCCNC(=O)c1cc(ccc1N2CCCCC2)NC(=O)CCC3CCCC3

Chemical ID:

5895396

Name [?]:

5-(3-cyclopentylpropanoylamino)-N-(3-methoxypropyl)-2-(1-piperidyl)benzamide

SMILES [?]:

COCCCNC(=O)c1cc(ccc1N2CCCCC2)NC(=O)CCC3CCCC3

InChi [?]:

InChI=1/C24H37N3O3/c1-30-17-7-14-25-24(29)21-18-20(11-12-22(21)27-15-5-2-6-16-27)26-23(28)13-10-19-8-3-4-9-19/h11-12,18-19H,2-10,13-17H2,1H3,(H,25,29)(H,26,28)

InChi Info:

AuxInfo=1/1/N:1,18,28,29,17,19,4,27,30,25,12,13,24,5,16,20,3,10,26,11,9,14,22,7,6,21,15,23,8,2/E:(3,4)(5,6)(8,9)(15,16)/rA:30nCOCCCNCOCCCCCCNCCCCCNCOCCCCCCC/rB:s1;s2;s3;s4;s5;s6;d7;s7;s9;d10;s11;d12;d9s13;s14;s15;s16;s17;s18;s15s19;s11;s21;d22;s22;s24;s25;s26;s27;s28;s26s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₄H₃₇N₃O₃
All Atoms:	30
Heavy Atoms:	30
Chiral Atoms:	0

ZAP Information [?]

Total:	12.0781
Area:	695.599
Solvation:	-5.31185
Coulombic:	-54.8319

Bond Count [?]

All:	32
Single:	27
Double:	5
Rotors:	12
Chiral:	0
Rigid Segments:	9

Chemical Properties

Molecular Weight:	415.569
H-Bond Donors:	2
H-Bond Acceptors:	6
XLogP:	4.62
LogP (Chemaxon):	3.18

Name Annotations

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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