Chemical ID: 5894128

CCCNC(=O)c1cc(ccc1N2CCCC2)NC(=O)Nc3cccc(c3)CC
Chemical ID:
5894128
Name [?]:
5-[(3-ethylphenyl)carbamoylamino]-N-propyl-2-pyrrolidin-1-yl-benzamide
SMILES [?]:
CCCNC(=O)c1cc(ccc1N2CCCC2)NC(=O)Nc3cccc(c3)CC
InChi [?]:
InChI=1/C23H30N4O2/c1-3-12-24-22(28)20-16-19(10-11-21(20)27-13-5-6-14-27)26-23(29)25-18-9-7-8-17(4-2)15-18/h7-11,15-16H,3-6,12-14H2,1-2H3,(H,24,28)(H2,25,26,29)
InChi Info:
AuxInfo=1/1/N:1,29,2,28,15,16,24,25,23,10,11,3,14,17,27,8,26,22,9,7,12,5,19,4,21,18,13,6,20/E:(5,6)(13,14)/rA:29nCCCNCOCCCCCCNCCCCNCONCCCCCCCC/rB:s1;s2;s3;s4;d5;s5;s7;d8;s9;d10;d7s11;s12;s13;s14;s15;s13s16;s9;s18;d19;s19;s21;s22;d23;s24;d25;d22s26;s26;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H30N4O2
All Atoms:29
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:12.5104
Area:653.438
Solvation:-3.8256
Coulombic:-62.0659
Bond Count [?]
All:31
Single:23
Double:8
Rotors:10
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:394.51
H-Bond Donors:3
H-Bond Acceptors:6
XLogP:4.28
LogP (Chemaxon):4.67

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Descriptor Annotations

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