Chemical ID: 5937911

CCC(=O)N(CCCOC)Cc1cccn1Cc2ccccc2C
Chemical ID:
5937911
Name [?]:
N-(3-methoxypropyl)-N-[[1-(o-tolylmethyl)pyrrol-2-yl]methyl]propanamide
SMILES [?]:
CCC(=O)N(CCCOC)Cc1cccn1Cc2ccccc2C
InChi [?]:
InChI=1/C20H28N2O2/c1-4-20(23)22(13-8-14-24-3)16-19-11-7-12-21(19)15-18-10-6-5-9-17(18)2/h5-7,9-12H,4,8,13-16H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,24,10,2,21,20,14,7,22,19,13,15,6,8,17,11,23,18,12,3,16,5,4,9/rA:24nCCCONCCCOCCCCCCNCCCCCCCC/rB:s1;s2;d3;s3;s5;s6;s7;s8;s9;s5;s11;d12;s13;d14;s12s15;s16;s17;s18;d19;s20;d21;d18s22;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H28N2O2
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:10.0159
Area:567.884
Solvation:-4.18124
Coulombic:-30.2519
Bond Count [?]
All:25
Single:19
Double:6
Rotors:10
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:328.449
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:3.24
LogP (Chemaxon):3.01

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