Chemical ID: 6656205

CC(C)c1ccc(cc1)NC(=O)N2CCCC2
Chemical ID:
6656205
Name [?]:
N-(4-isopropylphenyl)pyrrolidine-1-carboxamide
SMILES [?]:
CC(C)c1ccc(cc1)NC(=O)N2CCCC2
InChi [?]:
InChI=1/C14H20N2O/c1-11(2)12-5-7-13(8-6-12)15-14(17)16-9-3-4-10-16/h5-8,11H,3-4,9-10H2,1-2H3,(H,15,17)
InChi Info:
AuxInfo=1/1/N:1,3,15,16,5,9,6,8,14,17,2,4,7,11,10,13,12/E:(1,2)(3,4)(5,6)(7,8)(9,10)/rA:17nCCCCCCCCCNCONCCCC/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s7;s10;d11;s11;s13;s14;s15;s13s16;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H20N2O
All Atoms:17
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:9.03216
Area:431.041
Solvation:-1.74387
Coulombic:-31.258
Bond Count [?]
All:18
Single:14
Double:4
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:232.321
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:2.97
LogP (Chemaxon):3.11

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Descriptor Annotations

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