Chemical ID: 5378469

CCCCCOc1ccc(cc1)C(=O)OCC(=O)Nc2ccc(c(c2)C)C
Chemical ID:
5378469
Name [?]:
(3,4-dimethylphenyl)carbamoylmethyl 4-pentoxybenzoate
SMILES [?]:
CCCCCOc1ccc(cc1)C(=O)OCC(=O)Nc2ccc(c(c2)C)C
InChi [?]:
InChI=1/C22H27NO4/c1-4-5-6-13-26-20-11-8-18(9-12-20)22(25)27-15-21(24)23-19-10-7-16(2)17(3)14-19/h7-12,14H,4-6,13,15H2,1-3H3,(H,23,24)
InChi Info:
AuxInfo=1/1/N:1,27,26,2,3,4,22,9,11,21,8,12,5,25,16,23,24,10,20,7,17,13,19,18,14,6,15/E:(8,9)(11,12)/rA:27nCCCCCOCCCCCCCOOCCONCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;d8;s9;d10;d7s11;s10;d13;s13;s15;s16;d17;s17;s19;s20;d21;s22;d23;d20s24;s24;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H27NO4
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:11.7645
Area:646.825
Solvation:-4.40617
Coulombic:-49.2538
Bond Count [?]
All:28
Single:20
Double:8
Rotors:11
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:369.454
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:5.4
LogP (Chemaxon):4.96

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