ChemicalDetail: Details for an Individual Chemical

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Chemical ID: 7521277

Chemical ID:

7521277

Name [?]:

ethyl 4-(2-pyrrolidin-1-ylacetyl)aminobenzoate

SMILES [?]:

CCOC(=O)c1ccc(cc1)NC(=O)CN2CCCC2

InChi [?]:

InChI=1/C15H20N2O3/c1-2-20-15(19)12-5-7-13(8-6-12)16-14(18)11-17-9-3-4-10-17/h5-8H,2-4,9-11H2,1H3,(H,16,18)

InChi Info:

AuxInfo=1/1/N:1,2,18,19,7,11,8,10,17,20,15,6,9,13,4,12,16,14,5,3/E:(3,4)(5,6)(7,8)(9,10)/rA:20nCCOCOCCCCCCNCOCNCCCC/rB:s1;s2;s3;d4;s4;s6;d7;s8;d9;d6s10;s9;s12;d13;s13;s15;s16;s17;s18;s16s19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₅H₂₀N₂O₃
All Atoms:	40
Heavy Atoms:	20
Chiral Atoms:	None

ZAP Information [?]

Total:	8.99822
Area:	490.196
Solvation:	-3.25669
Coulombic:	-44.9983

Bond Count [?]

All:	21
Single:	16
Double:	5
Rotors:	7
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	1.67
LogP (Chemaxon):	None

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