Chemical ID: 6561865

CC(C)(C)c1ccc(cc1)NC(=O)COC(=O)C2CCCC2
Chemical ID:
6561865
Name [?]:
(4-tert-butylphenyl)carbamoylmethyl cyclopentanecarboxylate
SMILES [?]:
CC(C)(C)c1ccc(cc1)NC(=O)COC(=O)C2CCCC2
InChi [?]:
InChI=1/C18H25NO3/c1-18(2,3)14-8-10-15(11-9-14)19-16(20)12-22-17(21)13-6-4-5-7-13/h8-11,13H,4-7,12H2,1-3H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,3,4,20,21,19,22,6,10,7,9,14,18,5,8,12,16,2,11,13,17,15/E:(1,2,3)(4,5)(6,7)(8,9)(10,11)/rA:22nCCCCCCCCCCNCOCOCOCCCCC/rB:s1;s2;s2;s2;s5;d6;s7;d8;d5s9;s8;s11;d12;s12;s14;s15;d16;s16;s18;s19;s20;s18s21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H25NO3
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:10.1922
Area:533.808
Solvation:-3.15298
Coulombic:-40.5446
Bond Count [?]
All:23
Single:18
Double:5
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:303.396
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:4.14
LogP (Chemaxon):4.05

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Descriptor Annotations

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