Chemical ID: 4995608

CCCCCNCC(=O)Nc1ccc(cc1)C(=O)OCCCCC
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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