Chemical ID: 5875976

CCCC(C(=O)NCCc1ccccc1)NC(=O)Nc2ccc(cc2)C(C)C
Chemical ID:
5875976
Name [?]:
2-[(4-isopropylphenyl)carbamoylamino]-N-phenethyl-pentanamide
SMILES [?]:
CCCC(C(=O)NCCc1ccccc1)NC(=O)Nc2ccc(cc2)C(C)C
InChi [?]:
InChI=1/C23H31N3O2/c1-4-8-21(22(27)24-16-15-18-9-6-5-7-10-18)26-23(28)25-20-13-11-19(12-14-20)17(2)3/h5-7,9-14,17,21H,4,8,15-16H2,1-3H3,(H,24,27)(H2,25,26,28)
InChi Info:
AuxInfo=1/1/N:1,27,28,2,13,12,14,3,11,15,22,24,21,25,9,8,26,10,23,20,4,5,17,7,19,16,6,18/E:(2,3)(6,7)(9,10)(11,12)(13,14)/rA:28cCCCCCONCCCCCCCCNCONCCCCCCCCC/rB:s1;s2;s3;s4;d5;s5;s7;s8;s9;s10;d11;s12;d13;d10s14;s4;s16;d17;s17;s19;s20;d21;s22;d23;d20s24;s23;s26;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H31N3O2
All Atoms:28
Heavy Atoms:28
Chiral Atoms:1
ZAP Information [?]
Total:13.8248
Area:663.189
Solvation:-2.75495
Coulombic:-59.4123
Bond Count [?]
All:29
Single:21
Double:8
Rotors:12
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:381.511
H-Bond Donors:3
H-Bond Acceptors:5
XLogP:4.81
LogP (Chemaxon):4.9

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