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Chemical ID: 6476222

Chemical ID:

6476222

Name [?]:

ethyl 3-[(2,5-dimethoxyphenyl)carbamoylamino]propanoate

SMILES [?]:

CCOC(=O)CCNC(=O)Nc1cc(ccc1OC)OC

InChi [?]:

InChI=1/C14H20N2O5/c1-4-21-13(17)7-8-15-14(18)16-11-9-10(19-2)5-6-12(11)20-3/h5-6,9H,4,7-8H2,1-3H3,(H2,15,16,18)

InChi Info:

AuxInfo=1/1/N:1,21,19,2,15,16,6,7,13,14,12,17,4,9,8,11,5,10,20,18,3/rA:21nCCOCOCCNCONCCCCCCOCOC/rB:s1;s2;s3;d4;s4;s6;s7;s8;d9;s9;s11;s12;d13;s14;d15;d12s16;s17;s18;s14;s20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₄H₂₀N₂O₅
All Atoms:	21
Heavy Atoms:	21
Chiral Atoms:	0

ZAP Information [?]

Total:	7.59555
Area:	523.957
Solvation:	-5.50338
Coulombic:	-65.6112

Bond Count [?]

All:	21
Single:	16
Double:	5
Rotors:	10
Chiral:	0
Rigid Segments:	7

Chemical Properties

Molecular Weight:	296.319
H-Bond Donors:	2
H-Bond Acceptors:	7
XLogP:	1.03
LogP (Chemaxon):	0.94

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