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Chemical ID: 5911083

Chemical ID:

5911083

Name [?]:

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

SMILES [?]:

Cc1ccc(o1)CN(CCOC)C(=O)c2ccccc2

InChi [?]:

InChI=1/C16H19NO3/c1-13-8-9-15(20-13)12-17(10-11-19-2)16(18)14-6-4-3-5-7-14/h3-9H,10-12H2,1-2H3

InChi Info:

AuxInfo=1/0/N:1,12,18,17,19,16,20,3,4,9,10,7,2,15,5,13,8,14,11,6/E:(4,5)(6,7)/rA:20nCCCCCOCNCCOCCOCCCCCC/rB:s1;d2;s3;d4;s2s5;s5;s7;s8;s9;s10;s11;s8;d13;s13;s15;d16;s17;d18;d15s19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₆H₁₉NO₃
All Atoms:	20
Heavy Atoms:	20
Chiral Atoms:	0

ZAP Information [?]

Total:	6.88261
Area:	471.976
Solvation:	-4.9168
Coulombic:	-31.6613

Bond Count [?]

All:	21
Single:	15
Double:	6
Rotors:	7
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	273.327
H-Bond Donors:	0
H-Bond Acceptors:	3
XLogP:	2.02
LogP (Chemaxon):	1.77

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value