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Chemical ID: 5911108

Chemical ID:

5911108

Name [?]:

N-(2-methoxyethyl)-N-[(5-methyl-2-furyl)methyl]-4-pentyl-benzamide

SMILES [?]:

CCCCCc1ccc(cc1)C(=O)N(CCOC)Cc2ccc(o2)C

InChi [?]:

InChI=1/C21H29NO3/c1-4-5-6-7-18-9-11-19(12-10-18)21(23)22(14-15-24-3)16-20-13-8-17(2)25-20/h8-13H,4-7,14-16H2,1-3H3

InChi Info:

AuxInfo=1/0/N:1,25,18,2,3,4,5,22,7,11,8,10,21,15,16,19,23,6,9,20,12,14,13,17,24/E:(9,10)(11,12)/rA:25nCCCCCCCCCCCCONCCOCCCCCCOC/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;d6s10;s9;d12;s12;s14;s15;s16;s17;s14;s19;d20;s21;d22;s20s23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₁H₂₉NO₃
All Atoms:	25
Heavy Atoms:	25
Chiral Atoms:	0

ZAP Information [?]

Total:	10.4091
Area:	605.684
Solvation:	-4.73304
Coulombic:	-33.3064

Bond Count [?]

All:	26
Single:	20
Double:	6
Rotors:	11
Chiral:	0
Rigid Segments:	8

Chemical Properties

Molecular Weight:	343.46
H-Bond Donors:	0
H-Bond Acceptors:	3
XLogP:	4.63
LogP (Chemaxon):	3.82

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