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Chemical ID: 6933793

Chemical ID:

6933793

Name [?]:

3,5-dimethoxy-N-(1-methylbutyl)benzamide

SMILES [?]:

CCCC(C)NC(=O)c1cc(cc(c1)OC)OC

InChi [?]:

InChI=1/C14H21NO3/c1-5-6-10(2)15-14(16)11-7-12(17-3)9-13(8-11)18-4/h7-10H,5-6H2,1-4H3,(H,15,16)

InChi Info:

AuxInfo=1/1/N:1,5,16,18,2,3,14,10,12,4,9,13,11,7,6,8,15,17/E:(3,4)(7,8)(12,13)(17,18)/rA:18cCCCCCNCOCCCCCCOCOC/rB:s1;s2;s3;s4;s4;s6;d7;s7;s9;d10;s11;d12;d9s13;s13;s15;s11;s17;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₄H₂₁NO₃
All Atoms:	39
Heavy Atoms:	18
Chiral Atoms:	1

ZAP Information [?]

Total:	7.62403
Area:	465.467
Solvation:	-4.01265
Coulombic:	-36.0769

Bond Count [?]

All:	18
Single:	14
Double:	4
Rotors:	7
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	251.321
H-Bond Donors:	1
H-Bond Acceptors:	4
XLogP:	3.07
LogP (Chemaxon):	2.06

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