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Chemical ID: 5381622

CCCCCOc1ccc(cc1)C(=O)OCC(=O)Nc2ccc3ccccc3c2

Chemical ID:

5381622

Name [?]:

2-naphthylcarbamoylmethyl 4-pentoxybenzoate

SMILES [?]:

CCCCCOc1ccc(cc1)C(=O)OCC(=O)Nc2ccc3ccccc3c2

InChi [?]:

InChI=1/C24H25NO4/c1-2-3-6-15-28-22-13-10-19(11-14-22)24(27)29-17-23(26)25-21-12-9-18-7-4-5-8-20(18)16-21/h4-5,7-14,16H,2-3,6,15,17H2,1H3,(H,25,26)

InChi Info:

AuxInfo=1/1/N:1,2,3,25,26,4,24,27,22,9,11,21,8,12,5,29,16,23,10,28,20,7,17,13,19,18,14,6,15/E:(10,11)(13,14)/rA:29nCCCCCOCCCCCCCOOCCONCCCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;d8;s9;d10;d7s11;s10;d13;s13;s15;s16;d17;s17;s19;s20;d21;s22;s23;d24;s25;d26;d23s27;d20s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₄H₂₅NO₄
All Atoms:	29
Heavy Atoms:	29
Chiral Atoms:	0

ZAP Information [?]

Total:	12.0638
Area:	665.381
Solvation:	-4.57069
Coulombic:	-50.3838

Bond Count [?]

All:	31
Single:	21
Double:	10
Rotors:	11
Chiral:	0
Rigid Segments:	8

Chemical Properties

Molecular Weight:	391.46
H-Bond Donors:	1
H-Bond Acceptors:	5
XLogP:	5.8
LogP (Chemaxon):	5.03

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

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

Chemical Mix	Source	External ID	Descriptor	Value