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Chemical ID: 4147147

Chemical ID:

4147147

Name [?]:

propyl 4-[2-(4-methylphenoxy)acetyl]aminobenzoate

SMILES [?]:

CCCOC(=O)c1ccc(cc1)NC(=O)COc2ccc(cc2)C

InChi [?]:

InChI=1/C19H21NO4/c1-3-12-23-19(22)15-6-8-16(9-7-15)20-18(21)13-24-17-10-4-14(2)5-11-17/h4-11H,3,12-13H2,1-2H3,(H,20,21)

InChi Info:

AuxInfo=1/1/N:1,24,2,20,22,8,12,9,11,19,23,3,16,21,7,10,18,14,5,13,15,6,4,17/E:(4,5)(6,7)(8,9)(10,11)/rA:24nCCCOCOCCCCCCNCOCOCCCCCCC/rB:s1;s2;s3;s4;d5;s5;s7;d8;s9;d10;d7s11;s10;s13;d14;s14;s16;s17;s18;d19;s20;d21;d18s22;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₉H₂₁NO₄
All Atoms:	24
Heavy Atoms:	24
Chiral Atoms:	0

ZAP Information [?]

Total:	9.73037
Area:	577.867
Solvation:	-4.71629
Coulombic:	-48.8509

Bond Count [?]

All:	25
Single:	17
Double:	8
Rotors:	9
Chiral:	0
Rigid Segments:	7

Chemical Properties

Molecular Weight:	327.374
H-Bond Donors:	1
H-Bond Acceptors:	5
XLogP:	3.83
LogP (Chemaxon):	3.7

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