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Chemical ID: 4670272
Chemical ID:
4670272
Name [?]:
N-(1,1-diphenylpentyl)-2-methyl-propanamide
SMILES [?]:
CCCCC(c1ccccc1)(c2ccccc2)NC(=O)C(C)C
InChi [?]:
InChI=1/C21H27NO/c1-4-5-16-21(22-20(23)17(2)3,18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6-15,17H,4-5,16H2,1-3H3,(H,22,23)
InChi Info:
AuxInfo=1/1/N:1,22,23,2,3,9,15,8,10,14,16,7,11,13,17,4,21,6,12,19,5,18,20/E:(2,3)(6,7)(8,9,10,11)(12,13,14,15)(18,19)/rA:23nCCCCCCCCCCCCCCCCCNCOCCC/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;d6s10;s5;s12;d13;s14;d15;d12s16;s5;s18;d19;s19;s21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H27NO |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.0353 |
Area: | 527.423 |
Solvation: | -2.1503 |
Coulombic: | -25.5945 |
Bond Count [?]
All: | 24 |
Single: | 17 |
Double: | 7 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 309.445 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 5.55 |
LogP (Chemaxon): | 5.39 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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