Chemical ID: 6011368

CCC(=O)N(CCOC)CC(=O)N(CCc1c[nH]c2c1cccc2)Cc3ccccc3
Chemical ID:
6011368
Name [?]:
N-[[benzyl-[2-(1H-indol-3-yl)ethyl]carbamoyl]methyl]-N-(2-methoxyethyl)propanamide
SMILES [?]:
CCC(=O)N(CCOC)CC(=O)N(CCc1c[nH]c2c1cccc2)Cc3ccccc3
InChi [?]:
InChI=1/C25H31N3O3/c1-3-24(29)28(15-16-31-2)19-25(30)27(18-20-9-5-4-6-10-20)14-13-21-17-26-23-12-8-7-11-22(21)23/h4-12,17,26H,3,13-16,18-19H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,9,2,29,28,30,22,23,27,31,21,24,15,14,6,7,17,25,10,26,16,20,19,3,11,18,13,5,4,12,8/E:(5,6)(9,10)/rA:31nCCCONCCOCCCONCCCCNCCCCCCCCCCCCC/rB:s1;s2;d3;s3;s5;s6;s7;s8;s5;s10;d11;s11;s13;s14;s15;d16;s17;s18;s16s19;d20;s21;d22;d19s23;s13;s25;s26;d27;s28;d29;d26s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C25H31N3O3
All Atoms:31
Heavy Atoms:31
Chiral Atoms:0
ZAP Information [?]
Total:11.7209
Area:674.817
Solvation:-5.14954
Coulombic:-52.6154
Bond Count [?]
All:33
Single:24
Double:9
Rotors:13
Chiral:0
Rigid Segments:10
Chemical Properties
Molecular Weight:421.532
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:2.88
LogP (Chemaxon):3.3

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Descriptor Annotations

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