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Chemical ID: 6902052

Chemical ID:

6902052

Name [?]:

(4-ethylphenyl)carbamoylmethyl 4-methylbenzoate

SMILES [?]:

CCc1ccc(cc1)NC(=O)COC(=O)c2ccc(cc2)C

InChi [?]:

InChI=1/C18H19NO3/c1-3-14-6-10-16(11-7-14)19-17(20)12-22-18(21)15-8-4-13(2)5-9-15/h4-11H,3,12H2,1-2H3,(H,19,20)

InChi Info:

AuxInfo=1/1/N:1,22,2,18,20,4,8,17,21,5,7,12,19,3,16,6,10,14,9,11,15,13/E:(4,5)(6,7)(8,9)(10,11)/rA:22nCCCCCCCCNCOCOCOCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;d10;s10;s12;s13;d14;s14;s16;d17;s18;d19;d16s20;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₈H₁₉NO₃
All Atoms:	41
Heavy Atoms:	22
Chiral Atoms:	0

ZAP Information [?]

Total:	10.1719
Area:	530.942
Solvation:	-3.10165
Coulombic:	-42.3363

Bond Count [?]

All:	23
Single:	15
Double:	8
Rotors:	7
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	297.348
H-Bond Donors:	1
H-Bond Acceptors:	4
XLogP:	4.03
LogP (Chemaxon):	4.01

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