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Chemical ID: 7493024

Chemical ID:

7493024

Name [?]:

propyl 4-(2-pentoxybenzoyl)aminobenzoate

SMILES [?]:

CCCCCOc1ccccc1C(=O)Nc2ccc(cc2)C(=O)OCCC

InChi [?]:

InChI=1/C22H27NO4/c1-3-5-8-16-26-20-10-7-6-9-19(20)21(24)23-18-13-11-17(12-14-18)22(25)27-15-4-2/h6-7,9-14H,3-5,8,15-16H2,1-2H3,(H,23,24)

InChi Info:

AuxInfo=1/1/N:1,27,2,26,3,10,9,4,11,8,18,20,17,21,25,5,19,16,12,7,13,22,15,14,23,6,24/E:(11,12)(13,14)/rA:27nCCCCCOCCCCCCCONCCCCCCCOOCCC/rB:s1;s2;s3;s4;s5;s6;s7;d8;s9;d10;d7s11;s12;d13;s13;s15;s16;d17;s18;d19;d16s20;s19;d22;s22;s24;s25;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₂H₂₇NO₄
All Atoms:	54
Heavy Atoms:	27
Chiral Atoms:	0

ZAP Information [?]

Total:	11.7837
Area:	647.403
Solvation:	-4.40138
Coulombic:	-50.1622

Bond Count [?]

All:	28
Single:	20
Double:	8
Rotors:	12
Chiral:	0
Rigid Segments:	9

Chemical Properties

Molecular Weight:	369.454
H-Bond Donors:	1
H-Bond Acceptors:	5
XLogP:	5.54
LogP (Chemaxon):	4.81

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