Chemical ID: 7375345

CC(C)NC(=O)NCc1ccc(cc1)C(=O)OCc2ccc(cc2)C#N
Chemical ID:
7375345
Name [?]:
(4-cyanophenyl)methyl 4-(isopropylcarbamoylaminomethyl)benzoate
SMILES [?]:
CC(C)NC(=O)NCc1ccc(cc1)C(=O)OCc2ccc(cc2)C#N
InChi [?]:
InChI=1/C20H21N3O3/c1-14(2)23-20(25)22-12-16-7-9-18(10-8-16)19(24)26-13-17-5-3-15(11-21)4-6-17/h3-10,14H,12-13H2,1-2H3,(H2,22,23,25)
InChi Info:
AuxInfo=1/1/N:1,3,21,23,20,24,10,14,11,13,25,8,18,2,22,9,19,12,15,5,26,7,4,16,6,17/E:(1,2)(3,4)(5,6)(7,8)(9,10)/rA:26nCCCNCONCCCCCCCCOOCCCCCCCCN/rB:s1;s2;s2;s4;d5;s5;s7;s8;s9;d10;s11;d12;d9s13;s12;d15;s15;s17;s18;s19;d20;s21;d22;d19s23;s22;t25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H21N3O3
All Atoms:47
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:12.5721
Area:629.832
Solvation:-3.17375
Coulombic:-60.5243
Bond Count [?]
All:27
Single:18
Double:8
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:351.399
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:3.31
LogP (Chemaxon):2.86

Name Annotations

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Descriptor Annotations

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