Chemical ID: 4575801

CC(C)CCOc1ccc(cc1)C(=O)N2CCCC2C(=O)OC
Chemical ID:
4575801
Name [?]:
methyl 1-(4-isopentyloxybenzoyl)pyrrolidine-2-carboxylate
SMILES [?]:
CC(C)CCOc1ccc(cc1)C(=O)N2CCCC2C(=O)OC
InChi [?]:
InChI=1/C18H25NO4/c1-13(2)10-12-23-15-8-6-14(7-9-15)17(20)19-11-4-5-16(19)18(21)22-3/h6-9,13,16H,4-5,10-12H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,3,23,17,18,9,11,8,12,4,16,5,2,10,7,19,13,20,15,14,21,22,6/E:(1,2)(6,7)(8,9)/rA:23cCCCCCOCCCCCCCONCCCCCOOC/rB:s1;s2;s2;s4;s5;s6;s7;d8;s9;d10;d7s11;s10;d13;s13;s15;s16;s17;s15s18;s19;d20;s20;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H25NO4
All Atoms:23
Heavy Atoms:23
Chiral Atoms:1
ZAP Information [?]
Total:9.40541
Area:544.832
Solvation:-4.2154
Coulombic:-44.623
Bond Count [?]
All:24
Single:19
Double:5
Rotors:8
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:319.395
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:3.65
LogP (Chemaxon):2.57

Name Annotations

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Descriptor Annotations

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