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Chemical ID: 6366073
Chemical ID:
6366073
Name [?]:
N-(1-methyl-3-phenyl-propyl)cyclopentanecarboxamide
SMILES [?]:
CC(CCc1ccccc1)NC(=O)C2CCCC2
InChi [?]:
InChI=1/C16H23NO/c1-13(11-12-14-7-3-2-4-8-14)17-16(18)15-9-5-6-10-15/h2-4,7-8,13,15H,5-6,9-12H2,1H3,(H,17,18)
InChi Info:
AuxInfo=1/1/N:1,8,7,9,16,17,6,10,15,18,3,4,2,5,14,12,11,13/E:(3,4)(5,6)(7,8)(9,10)/rA:18cCCCCCCCCCCNCOCCCCC/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s2;s11;d12;s12;s14;s15;s16;s14s17;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H23NO |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 9.92906 |
Area: | 465.935 |
Solvation: | -1.71931 |
Coulombic: | -23.2999 |
Bond Count [?]
All: | 19 |
Single: | 15 |
Double: | 4 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 245.36 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 3.74 |
LogP (Chemaxon): | 3.53 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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