ChemicalDetail: Details for an Individual Chemical

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Chemical ID: 6036955

Chemical ID:

6036955

Name [?]:

N-(3-methoxypropyl)-N-[2-(sec-butylcarbamoyl)ethyl]furan-3-carboxamide

SMILES [?]:

CCC(C)NC(=O)CCN(CCCOC)C(=O)c1ccoc1

InChi [?]:

InChI=1/C16H26N2O4/c1-4-13(2)17-15(19)6-9-18(8-5-10-21-3)16(20)14-7-11-22-12-14/h7,11-13H,4-6,8-10H2,1-3H3,(H,17,19)

InChi Info:

AuxInfo=1/1/N:1,4,15,2,12,8,19,11,9,13,20,22,3,18,6,16,5,10,7,17,14,21/rA:22cCCCCNCOCCNCCCOCCOCCCOC/rB:s1;s2;s3;s3;s5;d6;s6;s8;s9;s10;s11;s12;s13;s14;s10;d16;s16;s18;d19;s20;d18s21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₆H₂₆N₂O₄
All Atoms:	22
Heavy Atoms:	22
Chiral Atoms:	1

ZAP Information [?]

Total:	8.5967
Area:	551.541
Solvation:	-5.19183
Coulombic:	-50.6095

Bond Count [?]

All:	22
Single:	18
Double:	4
Rotors:	12
Chiral:	0
Rigid Segments:	8

Chemical Properties

Molecular Weight:	310.389
H-Bond Donors:	1
H-Bond Acceptors:	5
XLogP:	0.91
LogP (Chemaxon):	0.59

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value