Chemical ID: 6004923

CCCCCc1ccc(cc1)C(=O)N(CC(=O)Nc2cc(on2)C)C3CC3
Chemical ID:
6004923
Name [?]:
N-cyclopropyl-N-[(5-methylisoxazol-3-yl)carbamoylmethyl]-4-pentyl-benzamide
SMILES [?]:
CCCCCc1ccc(cc1)C(=O)N(CC(=O)Nc2cc(on2)C)C3CC3
InChi [?]:
InChI=1/C21H27N3O3/c1-3-4-5-6-16-7-9-17(10-8-16)21(26)24(18-11-12-18)14-20(25)22-19-13-15(2)27-23-19/h7-10,13,18H,3-6,11-12,14H2,1-2H3,(H,22,23,25)
InChi Info:
AuxInfo=1/1/N:1,24,2,3,4,5,7,11,8,10,26,27,20,15,21,6,9,25,19,16,12,18,23,14,17,13,22/E:(7,8)(9,10)(11,12)/rA:27nCCCCCCCCCCCCONCCONCCCONCCCC/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;d6s10;s9;d12;s12;s14;s15;d16;s16;s18;s19;d20;s21;d19s22;s21;s14;s25;s25s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H27N3O3
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:11.7423
Area:616.886
Solvation:-3.67989
Coulombic:-42.6929
Bond Count [?]
All:29
Single:22
Double:7
Rotors:11
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:369.457
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:4.74
LogP (Chemaxon):3.94

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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