Chemical ID: 3959471

CC(C(=O)NCc1ccco1)NCCN(C)C
Chemical ID:
3959471
Name [?]:
2-(2-dimethylaminoethylamino)-N-(2-furylmethyl)propanamide
SMILES [?]:
CC(C(=O)NCc1ccco1)NCCN(C)C
InChi [?]:
InChI=1/C12H21N3O2/c1-10(13-6-7-15(2)3)12(16)14-9-11-5-4-8-17-11/h4-5,8,10,13H,6-7,9H2,1-3H3,(H,14,16)
InChi Info:
AuxInfo=1/1/N:1,16,17,9,8,13,14,10,6,2,7,3,12,5,15,4,11/E:(2,3)/rA:17cCCCONCCCCCONCCNCC/rB:s1;s2;d3;s3;s5;s6;d7;s8;d9;s7s10;s2;s12;s13;s14;s15;s15;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H21N3O2
All Atoms:17
Heavy Atoms:17
Chiral Atoms:1
ZAP Information [?]
Total:7.77292
Area:468.102
Solvation:-3.92964
Coulombic:-40.7499
Bond Count [?]
All:17
Single:14
Double:3
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:239.314
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:-0.22
LogP (Chemaxon):-0.04

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Descriptor Annotations

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