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Chemical ID: 6875950

Chemical ID:

6875950

Name [?]:

(4-methoxyphenyl)carbamoylmethyl 2-methylbenzoate

SMILES [?]:

Cc1ccccc1C(=O)OCC(=O)Nc2ccc(cc2)OC

InChi [?]:

InChI=1/C17H17NO4/c1-12-5-3-4-6-15(12)17(20)22-11-16(19)18-13-7-9-14(21-2)10-8-13/h3-10H,11H2,1-2H3,(H,18,19)

InChi Info:

AuxInfo=1/1/N:1,22,4,5,3,6,16,20,17,19,11,2,15,18,7,12,8,14,13,9,21,10/E:(7,8)(9,10)/rA:22nCCCCCCCCOOCCONCCCCCCOC/rB:s1;s2;d3;s4;d5;d2s6;s7;d8;s8;s10;s11;d12;s12;s14;s15;d16;s17;d18;d15s19;s18;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₇H₁₇NO₄
All Atoms:	39
Heavy Atoms:	22
Chiral Atoms:	0

ZAP Information [?]

Total:	8.49862
Area:	512.108
Solvation:	-4.30408
Coulombic:	-48.5991

Bond Count [?]

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

Chemical Properties

Molecular Weight:	299.321
H-Bond Donors:	1
H-Bond Acceptors:	5
XLogP:	3.05
LogP (Chemaxon):	2.89

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