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Chemical ID: 6033197

Cc1cc(c(o1)C)C(=O)N(CCC(=O)NC(C)c2ccccc2)CC3CCCO3

Chemical ID:

6033197

Name [?]:

2,5-dimethyl-N-[2-(1-phenylethylcarbamoyl)ethyl]-N-(tetrahydrofuran-2-ylmethyl)furan-3-carboxamide

SMILES [?]:

Cc1cc(c(o1)C)C(=O)N(CCC(=O)NC(C)c2ccccc2)CC3CCCO3

InChi [?]:

InChI=1/C23H30N2O4/c1-16-14-21(18(3)29-16)23(27)25(15-20-10-7-13-28-20)12-11-22(26)24-17(2)19-8-5-4-6-9-19/h4-6,8-9,14,17,20H,7,10-13,15H2,1-3H3,(H,24,26)

InChi Info:

AuxInfo=1/1/N:1,17,7,21,20,22,27,19,23,26,12,11,28,3,24,2,16,5,18,25,4,13,8,15,10,14,9,29,6/E:(5,6)(8,9)/rA:29cCCCCCOCCONCCCONCCCCCCCCCCCCCO/rB:s1;d2;s3;d4;s2s5;s5;s4;d8;s8;s10;s11;s12;d13;s13;s15;s16;s16;s18;d19;s20;d21;d18s22;s10;s24;s25;s26;s27;s25s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₃H₃₀N₂O₄
All Atoms:	29
Heavy Atoms:	29
Chiral Atoms:	2

ZAP Information [?]

Total:	10.9383
Area:	659.161
Solvation:	-5.5407
Coulombic:	-51.8372

Bond Count [?]

All:	31
Single:	24
Double:	7
Rotors:	10
Chiral:	0
Rigid Segments:	8

Chemical Properties

Molecular Weight:	398.495
H-Bond Donors:	1
H-Bond Acceptors:	5
XLogP:	2.56
LogP (Chemaxon):	1.93

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value