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Chemical ID: 5875976
Chemical ID:
5875976
Name [?]:
2-[(4-isopropylphenyl)carbamoylamino]-N-phenethyl-pentanamide
SMILES [?]:
CCCC(C(=O)NCCc1ccccc1)NC(=O)Nc2ccc(cc2)C(C)C
InChi [?]:
InChI=1/C23H31N3O2/c1-4-8-21(22(27)24-16-15-18-9-6-5-7-10-18)26-23(28)25-20-13-11-19(12-14-20)17(2)3/h5-7,9-14,17,21H,4,8,15-16H2,1-3H3,(H,24,27)(H2,25,26,28)
InChi Info:
AuxInfo=1/1/N:1,27,28,2,13,12,14,3,11,15,22,24,21,25,9,8,26,10,23,20,4,5,17,7,19,16,6,18/E:(2,3)(6,7)(9,10)(11,12)(13,14)/rA:28cCCCCCONCCCCCCCCNCONCCCCCCCCC/rB:s1;s2;s3;s4;d5;s5;s7;s8;s9;s10;d11;s12;d13;d10s14;s4;s16;d17;s17;s19;s20;d21;s22;d23;d20s24;s23;s26;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H31N3O2 |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 13.8248 |
Area: | 663.189 |
Solvation: | -2.75495 |
Coulombic: | -59.4123 |
Bond Count [?]
All: | 29 |
Single: | 21 |
Double: | 8 |
Rotors: | 12 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 381.511 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 5 |
XLogP: | 4.81 |
LogP (Chemaxon): | 4.9 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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