Chemical ID: 4182486

CC(=O)c1cccc(c1)NC(=O)c2ccc(c(c2)OC)OC
Chemical ID:
4182486
Name [?]:
N-(3-acetylphenyl)-3,4-dimethoxy-benzamide
SMILES [?]:
CC(=O)c1cccc(c1)NC(=O)c2ccc(c(c2)OC)OC
InChi [?]:
InChI=1/C17H17NO4/c1-11(19)12-5-4-6-14(9-12)18-17(20)13-7-8-15(21-2)16(10-13)22-3/h4-10H,1-3H3,(H,18,20)
InChi Info:
AuxInfo=1/1/N:1,22,20,6,5,7,14,15,9,18,2,4,13,8,16,17,11,10,3,12,21,19/rA:22nCCOCCCCCCNCOCCCCCCOCOC/rB:s1;d2;s2;s4;d5;s6;d7;d4s8;s8;s10;d11;s11;s13;d14;s15;d16;d13s17;s17;s19;s16;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H17NO4
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:6.11677
Area:507.168
Solvation:-6.56244
Coulombic:-42.0837
Bond Count [?]
All:23
Single:15
Double:8
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:299.321
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:2.39
LogP (Chemaxon):1.91

Name Annotations

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Descriptor Annotations

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