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Chemical ID: 7340644

Chemical ID:

7340644

Name [?]:

4-diethylamino-N-tetralin-1-yl-benzamide

SMILES [?]:

CCN(CC)c1ccc(cc1)C(=O)NC2CCCc3c2cccc3

InChi [?]:

InChI=1/C21H26N2O/c1-3-23(4-2)18-14-12-17(13-15-18)21(24)22-20-11-7-9-16-8-5-6-10-19(16)20/h5-6,8,10,12-15,20H,3-4,7,9,11H2,1-2H3,(H,22,24)

InChi Info:

AuxInfo=1/1/N:1,5,2,4,23,22,17,24,18,21,16,8,10,7,11,19,9,6,20,15,12,14,3,13/E:(1,2)(3,4)(12,13)(14,15)/rA:24cCCNCCCCCCCCCONCCCCCCCCCC/rB:s1;s2;s3;s4;s3;s6;d7;s8;d9;d6s10;s9;d12;s12;s14;s15;s16;s17;s18;s15s19;d20;s21;d22;d19s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₁H₂₆N₂O
All Atoms:	50
Heavy Atoms:	24
Chiral Atoms:	1

ZAP Information [?]

Total:	11.4864
Area:	542.267
Solvation:	-2.07031
Coulombic:	-30.8266

Bond Count [?]

All:	26
Single:	19
Double:	7
Rotors:	6
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	322.444
H-Bond Donors:	1
H-Bond Acceptors:	3
XLogP:	5.07
LogP (Chemaxon):	4.52

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