Chemical ID: 6179676

CC(Cc1ccccc1)NC(=O)C2CCC(C2(C)C)(C)C(=O)O
Chemical ID:
6179676
Name [?]:
1,2,2-trimethyl-3-[(1-methyl-2-phenyl-ethyl)carbamoyl]cyclopentane-1-carboxylic acid
SMILES [?]:
CC(Cc1ccccc1)NC(=O)C2CCC(C2(C)C)(C)C(=O)O
InChi [?]:
InChI=1/C19H27NO3/c1-13(12-14-8-6-5-7-9-14)20-16(21)15-10-11-19(4,17(22)23)18(15,2)3/h5-9,13,15H,10-12H2,1-4H3,(H,20,21)(H,22,23)
InChi Info:
AuxInfo=1/1/N:1,18,19,20,7,6,8,5,9,14,15,3,2,4,13,11,21,17,16,10,12,22,23/E:(2,3)(6,7)(8,9)(22,23)/rA:23cCCCCCCCCCNCOCCCCCCCCCOO/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s2;s10;d11;s11;s13;s14;s15;s13s16;s17;s17;s16;s16;d21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H27NO3
All Atoms:23
Heavy Atoms:23
Chiral Atoms:3
ZAP Information [?]
Total:9.11158
Area:487.976
Solvation:-3.08781
Coulombic:-49.2465
Bond Count [?]
All:24
Single:19
Double:5
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:317.423
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:3.33
LogP (Chemaxon):3.89

Name Annotations

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Descriptor Annotations

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