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Chemical ID: 7038752
Chemical ID:
7038752
Name [?]:
N-[(4-benzyloxyphenyl)-(2,2-dimethylpropanoylamino)methyl]-2,2-dimethyl-propanamide
SMILES [?]:
CC(C)(C)C(=O)NC(c1ccc(cc1)OCc2ccccc2)NC(=O)C(C)(C)C
InChi [?]:
InChI=1/C24H32N2O3/c1-23(2,3)21(27)25-20(26-22(28)24(4,5)6)18-12-14-19(15-13-18)29-16-17-10-8-7-9-11-17/h7-15,20H,16H2,1-6H3,(H,25,27)(H,26,28)
InChi Info:
AuxInfo=1/1/N:1,3,4,27,28,29,20,19,21,18,22,10,14,11,13,16,17,9,12,8,5,24,2,26,7,23,6,25,15/E:(1,2,3,4,5,6)(8,9)(10,11)(12,13)(14,15)(21,22)(23,24)(25,26)(27,28)/gE:(1,2)/rA:29nCCCCCONCCCCCCCOCCCCCCCNCOCCCC/rB:s1;s2;s2;s2;d5;s5;s7;s8;s9;d10;s11;d12;d9s13;s12;s15;s16;s17;d18;s19;d20;d17s21;s8;s23;d24;s24;s26;s26;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H32N2O3 |
All Atoms: | 61 |
Heavy Atoms: | 29 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.4985 |
Area: | 652.792 |
Solvation: | -4.82132 |
Coulombic: | -51.819 |
Bond Count [?]
All: | 30 |
Single: | 22 |
Double: | 8 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 396.523 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 4.28 |
LogP (Chemaxon): | 5.6 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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