Chemical ID: 5772600

CCOC(=O)Nc1ccc(cc1)Cc2ccc(cc2)NC(=O)OCC
Chemical ID:
5772600
Name [?]:
ethyl [4-[(4-ethoxycarbonylaminophenyl)methyl]phenyl]aminoformate
SMILES [?]:
CCOC(=O)Nc1ccc(cc1)Cc2ccc(cc2)NC(=O)OCC
InChi [?]:
InChI=1/C19H22N2O4/c1-3-24-18(22)20-16-9-5-14(6-10-16)13-15-7-11-17(12-8-15)21-19(23)25-4-2/h5-12H,3-4,13H2,1-2H3,(H,20,22)(H,21,23)
InChi Info:
AuxInfo=1/1/N:1,25,2,24,9,11,15,19,8,12,16,18,13,10,14,7,17,4,21,6,20,5,22,3,23/E:(1,2)(3,4)(5,6,7,8)(9,10,11,12)(14,15)(16,17)(18,19)(20,21)(22,23)(24,25)/gE:(1,2)/rA:25nCCOCONCCCCCCCCCCCCCNCOOCC/rB:s1;s2;s3;d4;s4;s6;s7;d8;s9;d10;d7s11;s10;s13;s14;d15;s16;d17;d14s18;s17;s20;d21;s21;s23;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H22N2O4
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:11.8001
Area:594.932
Solvation:-3.07316
Coulombic:-67.5946
Bond Count [?]
All:26
Single:18
Double:8
Rotors:10
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:342.389
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:3.26
LogP (Chemaxon):4.71

Name Annotations

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Descriptor Annotations

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