Chemical ID: 6609814

CCCCOc1ccc(cc1)C(=O)OCC(=O)N(CC)c2cccc3c2cccc3
Chemical ID:
6609814
Name [?]:
(ethyl-(1-naphthyl)carbamoyl)methyl 4-butoxybenzoate
SMILES [?]:
CCCCOc1ccc(cc1)C(=O)OCC(=O)N(CC)c2cccc3c2cccc3
InChi [?]:
InChI=1/C25H27NO4/c1-3-5-17-29-21-15-13-20(14-16-21)25(28)30-18-24(27)26(4-2)23-12-8-10-19-9-6-7-11-22(19)23/h6-16H,3-5,17-18H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,20,2,19,3,29,28,23,30,24,27,22,8,10,7,11,4,15,25,9,6,26,21,16,12,18,17,13,5,14/E:(13,14)(15,16)/rA:30nCCCCOCCCCCCCOOCCONCCCCCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;d6s10;s9;d12;s12;s14;s15;d16;s16;s18;s19;s18;s21;d22;s23;d24;d21s25;s26;d27;s28;s25d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C25H27NO4
All Atoms:30
Heavy Atoms:30
Chiral Atoms:0
ZAP Information [?]
Total:11.9544
Area:666.265
Solvation:-4.70218
Coulombic:-46.1096
Bond Count [?]
All:32
Single:22
Double:10
Rotors:11
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:405.486
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:5.79
LogP (Chemaxon):4.75

Name Annotations

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Descriptor Annotations

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