Chemical ID: 6179503

CC12CC3(CC(C1)(CC(C2)(C3)C(=O)Nc4ccc(cc4)C56CC7CC(C5)CC(C7)C6)C)C
Chemical ID:
6179503
Name [?]:
N-[4-(1-adamantyl)phenyl]-3,5,7-trimethyl-adamantane-1-carboxamide
SMILES [?]:
CC12CC3(CC(C1)(CC(C2)(C3)C(=O)Nc4ccc(cc4)C56CC7CC(C5)CC(C7)C6)C)C
InChi [?]:
InChI=1/C30H41NO/c1-26-14-27(2)16-28(3,15-26)19-30(17-26,18-27)25(32)31-24-6-4-23(5-7-24)29-11-20-8-21(12-29)10-22(9-20)13-29/h4-7,20-22H,8-19H2,1-3H3,(H,31,32)
InChi Info:
AuxInfo=1/1/N:1,31,32,17,19,16,20,24,27,29,26,22,30,7,3,5,10,8,11,25,23,28,18,15,12,2,6,4,21,9,14,13/E:(1,2,3)(4,5)(6,7)(8,9,10)(11,12,13)(14,15,16)(17,18,19)(20,21,22)(26,27,28)/rA:32nCCCCCCCCCCCCONCCCCCCCCCCCCCCCCCC/rB:s1;s2;s3;s4;s5;s2s6;s6;s8;s2s9;s4s9;s9;d12;s12;s14;s15;d16;s17;d18;d15s19;s18;s21;s22;s23;s24;s21s25;s25;s27;s23s28;s21s28;s6;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C30H41NO
All Atoms:32
Heavy Atoms:32
Chiral Atoms:0
ZAP Information [?]
Total:13.9284
Area:621.954
Solvation:-1.62048
Coulombic:-24.5356
Bond Count [?]
All:38
Single:34
Double:4
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:431.653
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:7.97
LogP (Chemaxon):7.49

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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