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Chemical ID: 6555927

Chemical ID:

6555927

Name [?]:

(2,6-dimethylphenyl)carbamoylmethyl 4-methoxybenzoate

SMILES [?]:

Cc1cccc(c1NC(=O)COC(=O)c2ccc(cc2)OC)C

InChi [?]:

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

InChi Info:

AuxInfo=1/1/N:1,23,22,4,3,5,16,20,17,19,11,2,6,15,18,9,7,13,8,10,14,21,12/E:(1,2)(5,6)(7,8)(9,10)(12,13)/rA:23nCCCCCCCNCOCOCOCCCCCCOCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;s11;s12;d13;s13;s15;d16;s17;d18;d15s19;s18;s21;s6;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

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

ZAP Information [?]

Total:	8.63646
Area:	532.93
Solvation:	-4.6868
Coulombic:	-47.9107

Bond Count [?]

All:	24
Single:	16
Double:	8
Rotors:	7
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	313.348
H-Bond Donors:	1
H-Bond Acceptors:	5
XLogP:	3.06
LogP (Chemaxon):	2.06

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value