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Chemical ID: 6032344

Chemical ID:

6032344

Name [?]:

N-cyclopropyl-2,5-dimethyl-N-[2-(pentylcarbamoyl)ethyl]furan-3-carboxamide

SMILES [?]:

CCCCCNC(=O)CCN(C1CC1)C(=O)c2cc(oc2C)C

InChi [?]:

InChI=1/C18H28N2O3/c1-4-5-6-10-19-17(21)9-11-20(15-7-8-15)18(22)16-12-13(2)23-14(16)3/h12,15H,4-11H2,1-3H3,(H,19,21)

InChi Info:

AuxInfo=1/1/N:1,23,22,2,3,4,13,14,9,5,10,18,19,21,12,17,7,15,6,11,8,16,20/E:(7,8)/rA:23nCCCCCNCOCCNCCCCOCCCOCCC/rB:s1;s2;s3;s4;s5;s6;d7;s7;s9;s10;s11;s12;s12s13;s11;d15;s15;s17;d18;s19;d17s20;s21;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₈H₂₈N₂O₃
All Atoms:	23
Heavy Atoms:	23
Chiral Atoms:	0

ZAP Information [?]

Total:	10.9302
Area:	561.374
Solvation:	-3.10417
Coulombic:	-43.7669

Bond Count [?]

All:	24
Single:	20
Double:	4
Rotors:	11
Chiral:	0
Rigid Segments:	8

Chemical Properties

Molecular Weight:	320.427
H-Bond Donors:	1
H-Bond Acceptors:	4
XLogP:	2.44
LogP (Chemaxon):	1.51

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value