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Chemical ID: 4995608
Chemical ID:
4995608
Name [?]:
pentyl 4-(2-pentylaminoacetyl)aminobenzoate
SMILES [?]:
CCCCCNCC(=O)Nc1ccc(cc1)C(=O)OCCCCC
InChi [?]:
InChI=1/C19H30N2O3/c1-3-5-7-13-20-15-18(22)21-17-11-9-16(10-12-17)19(23)24-14-8-6-4-2/h9-12,20H,3-8,13-15H2,1-2H3,(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,24,2,23,3,22,4,21,13,15,12,16,5,20,7,14,11,8,17,6,10,9,18,19/E:(9,10)(11,12)/rA:24nCCCCCNCCONCCCCCCCOOCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;d8;s8;s10;s11;d12;s13;d14;d11s15;s14;d17;s17;s19;s20;s21;s22;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H30N2O3 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.5304 |
Area: | 636.302 |
Solvation: | -3.37713 |
Coulombic: | -50.6546 |
Bond Count [?]
All: | 24 |
Single: | 19 |
Double: | 5 |
Rotors: | 14 |
Chiral: | 0 |
Rigid Segments: | 9 |
Chemical Properties
Molecular Weight: | 334.453 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 4.34 |
LogP (Chemaxon): | 3.63 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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