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Chemical ID: 6595095

CC(=O)Nc1ccc(cc1)C(=O)OCC(=O)Nc2ccc(cc2)N3CCOCC3

Chemical ID:

6595095

Name [?]:

(4-morpholinophenyl)carbamoylmethyl 4-acetamidobenzoate

SMILES [?]:

CC(=O)Nc1ccc(cc1)C(=O)OCC(=O)Nc2ccc(cc2)N3CCOCC3

InChi [?]:

InChI=1/C21H23N3O5/c1-15(25)22-17-4-2-16(3-5-17)21(27)29-14-20(26)23-18-6-8-19(9-7-18)24-10-12-28-13-11-24/h2-9H,10-14H2,1H3,(H,22,25)(H,23,26)

InChi Info:

AuxInfo=1/1/N:1,7,9,6,10,19,23,20,22,25,29,26,28,14,2,8,5,18,21,15,11,4,17,24,3,16,12,27,13/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)/rA:29nCCONCCCCCCCOOCCONCCCCCCNCCOCC/rB:s1;d2;s2;s4;s5;d6;s7;d8;d5s9;s8;d11;s11;s13;s14;d15;s15;s17;s18;d19;s20;d21;d18s22;s21;s24;s25;s26;s27;s24s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₁H₂₃N₃O₅
All Atoms:	29
Heavy Atoms:	29
Chiral Atoms:	0

ZAP Information [?]

Total:	9.62524
Area:	640.023
Solvation:	-6.37533
Coulombic:	-73.1237

Bond Count [?]

All:	31
Single:	22
Double:	9
Rotors:	9
Chiral:	0
Rigid Segments:	7

Chemical Properties

Molecular Weight:	397.425
H-Bond Donors:	2
H-Bond Acceptors:	8
XLogP:	1.76
LogP (Chemaxon):	1.92

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