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Chemical ID: 6876031

Chemical ID:

6876031

Name [?]:

(4-ethoxyphenyl)carbamoylmethyl 4-methylbenzoate

SMILES [?]:

CCOc1ccc(cc1)NC(=O)COC(=O)c2ccc(cc2)C

InChi [?]:

InChI=1/C18H19NO4/c1-3-22-16-10-8-15(9-11-16)19-17(20)12-23-18(21)14-6-4-13(2)5-7-14/h4-11H,3,12H2,1-2H3,(H,19,20)

InChi Info:

AuxInfo=1/1/N:1,23,2,19,21,18,22,6,8,5,9,13,20,17,7,4,11,15,10,12,16,3,14/E:(4,5)(6,7)(8,9)(10,11)/rA:23nCCOCCCCCCNCOCOCOCCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;s10;d11;s11;s13;s14;d15;s15;s17;d18;s19;d20;d17s21;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₈H₁₉NO₄
All Atoms:	42
Heavy Atoms:	23
Chiral Atoms:	0

ZAP Information [?]

Total:	9.49586
Area:	550.468
Solvation:	-4.26585
Coulombic:	-48.6847

Bond Count [?]

All:	24
Single:	16
Double:	8
Rotors:	8
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	313.348
H-Bond Donors:	1
H-Bond Acceptors:	5
XLogP:	3.47
LogP (Chemaxon):	3.23

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