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Chemical ID: 7267477
Chemical ID:
7267477
Name [?]:
N-[(3-methoxyphenyl)carbamoylmethyl]-N-methyl-3,3-diphenyl-propanamide
SMILES [?]:
CN(CC(=O)Nc1cccc(c1)OC)C(=O)CC(c2ccccc2)c3ccccc3
InChi [?]:
InChI=1/C25H26N2O3/c1-27(18-24(28)26-21-14-9-15-22(16-21)30-2)25(29)17-23(19-10-5-3-6-11-19)20-12-7-4-8-13-20/h3-16,23H,17-18H2,1-2H3,(H,26,28)
InChi Info:
AuxInfo=1/1/N:1,14,22,28,21,23,27,29,9,20,24,26,30,8,10,12,17,3,19,25,7,11,18,4,15,6,2,5,16,13/E:(3,4)(5,6,7,8)(10,11,12,13)(19,20)/rA:30nCNCCONCCCCCCOCCOCCCCCCCCCCCCCC/rB:s1;s2;s3;d4;s4;s6;s7;d8;s9;d10;d7s11;s11;s13;s2;d15;s15;s17;s18;s19;d20;s21;d22;d19s23;s18;s25;d26;s27;d28;d25s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C25H26N2O3 |
All Atoms: | 56 |
Heavy Atoms: | 30 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.4931 |
Area: | 648.35 |
Solvation: | -5.71564 |
Coulombic: | -45.4364 |
Bond Count [?]
All: | 32 |
Single: | 21 |
Double: | 11 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 402.486 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 3.69 |
LogP (Chemaxon): | 4.08 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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