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Chemical ID: 5369069

Chemical ID:

5369069

Name [?]:

N-[(3-methoxyphenyl)-pentanoylamino-methyl]pentanamide

SMILES [?]:

CCCCC(=O)NC(c1cccc(c1)OC)NC(=O)CCCC

InChi [?]:

InChI=1/C18H28N2O3/c1-4-6-11-16(21)19-18(20-17(22)12-7-5-2)14-9-8-10-15(13-14)23-3/h8-10,13,18H,4-7,11-12H2,1-3H3,(H,19,21)(H,20,22)

InChi Info:

AuxInfo=1/1/N:1,23,16,2,22,3,21,11,10,12,4,20,14,9,13,5,18,8,7,17,6,19,15/E:(1,2)(4,5)(6,7)(11,12)(16,17)(19,20)(21,22)/gE:(1,2)/rA:23nCCCCCONCCCCCCCOCNCOCCCC/rB:s1;s2;s3;s4;d5;s5;s7;s8;s9;d10;s11;d12;d9s13;s13;s15;s8;s17;d18;s18;s20;s21;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₈H₂₈N₂O₃
All Atoms:	23
Heavy Atoms:	23
Chiral Atoms:	0

ZAP Information [?]

Total:	9.88538
Area:	584.698
Solvation:	-4.73206
Coulombic:	-48.617

Bond Count [?]

All:	23
Single:	18
Double:	5
Rotors:	12
Chiral:	0
Rigid Segments:	9

Chemical Properties

Molecular Weight:	320.427
H-Bond Donors:	2
H-Bond Acceptors:	5
XLogP:	3.86
LogP (Chemaxon):	2.95

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