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Chemical ID: 6562106
Chemical ID:
6562106
Name [?]:
(4-sec-butylphenyl)carbamoylmethyl cyclopentanecarboxylate
SMILES [?]:
CCC(C)c1ccc(cc1)NC(=O)COC(=O)C2CCCC2
InChi [?]:
InChI=1/C18H25NO3/c1-3-13(2)14-8-10-16(11-9-14)19-17(20)12-22-18(21)15-6-4-5-7-15/h8-11,13,15H,3-7,12H2,1-2H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,4,2,20,21,19,22,6,10,7,9,14,3,5,18,8,12,16,11,13,17,15/E:(4,5)(6,7)(8,9)(10,11)/rA:22cCCCCCCCCCCNCOCOCOCCCCC/rB:s1;s2;s3;s3;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: | 1 |
ZAP Information [?]
Total: | 10.393 |
Area: | 542.155 |
Solvation: | -3.16085 |
Coulombic: | -40.6608 |
Bond Count [?]
All: | 23 |
Single: | 18 |
Double: | 5 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 303.396 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 4.3 |
LogP (Chemaxon): | 4.02 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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