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Chemical ID: 5911690

c1ccc(cc1)CN(Cc2ccco2)C(=O)CN(C3CCCCC3)C(=O)C4CCC4

Chemical ID:

5911690

Name [?]:

N-[(benzyl-(2-furylmethyl)carbamoyl)methyl]-N-cyclohexyl-cyclobutanecarboxamide

SMILES [?]:

c1ccc(cc1)CN(Cc2ccco2)C(=O)CN(C3CCCCC3)C(=O)C4CCC4

InChi [?]:

InChI=1/C25H32N2O3/c28-24(19-27(22-13-5-2-6-14-22)25(29)21-11-7-12-21)26(18-23-15-8-16-30-23)17-20-9-3-1-4-10-20/h1,3-4,8-10,15-16,21-22H,2,5-7,11-14,17-19H2

InChi Info:

AuxInfo=1/0/N:1,22,2,6,21,23,29,12,3,5,28,30,20,24,11,13,7,9,17,4,27,19,10,15,25,8,18,16,26,14/E:(3,4)(5,6)(9,10)(11,12)(13,14)/rA:30nCCCCCCCNCCCCCOCOCNCCCCCCCOCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;d10;s11;d12;s10s13;s8;d15;s15;s17;s18;s19;s20;s21;s22;s19s23;s18;d25;s25;s27;s28;s27s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₅H₃₂N₂O₃
All Atoms:	30
Heavy Atoms:	30
Chiral Atoms:	0

ZAP Information [?]

Total:	10.4375
Area:	603.172
Solvation:	-4.64176
Coulombic:	-40.6355

Bond Count [?]

All:	33
Single:	26
Double:	7
Rotors:	10
Chiral:	0
Rigid Segments:	8

Chemical Properties

Molecular Weight:	408.533
H-Bond Donors:	0
H-Bond Acceptors:	4
XLogP:	3.89
LogP (Chemaxon):	3.8

Name Annotations

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

Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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

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