Chemical ID: 4923127

CCC1(CN(CC=C1)C(=O)Oc2ccccc2)CC(=O)N(C)C
Chemical ID:
4923127
Name [?]:
phenyl 3-(dimethylcarbamoylmethyl)-3-ethyl-2,6-dihydropyridine-1-carboxylate
SMILES [?]:
CCC1(CN(CC=C1)C(=O)Oc2ccccc2)CC(=O)N(C)C
InChi [?]:
InChI=1/C18H24N2O3/c1-4-18(13-16(21)19(2)3)11-8-12-20(14-18)17(22)23-15-9-6-5-7-10-15/h5-11H,4,12-14H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,22,23,2,15,14,16,7,13,17,8,6,18,4,12,19,9,3,21,5,20,10,11/E:(2,3)(6,7)(9,10)/rA:23cCCCCNCCCCOOCCCCCCCCONCC/rB:s1;s2;s3;s4;s5;s6;s3d7;s5;d9;s9;s11;s12;d13;s14;d15;d12s16;s3;s18;d19;s19;s21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H24N2O3
All Atoms:23
Heavy Atoms:23
Chiral Atoms:1
ZAP Information [?]
Total:10.27
Area:523.489
Solvation:-2.81725
Coulombic:-46.7643
Bond Count [?]
All:24
Single:18
Double:6
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:316.395
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:2.25
LogP (Chemaxon):2.47

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Descriptor Annotations

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