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Chemical ID: 7038909

CC(=O)Oc1ccc(cc1OC)C(NC(=O)C(C)(C)C)NC(=O)C(C)(C)C

Chemical ID:

7038909

Name [?]:

[4-[bis(2,2-dimethylpropanoylamino)methyl]-2-methoxy-phenyl] acetate

SMILES [?]:

CC(=O)Oc1ccc(cc1OC)C(NC(=O)C(C)(C)C)NC(=O)C(C)(C)C

InChi [?]:

InChI=1/C20H30N2O5/c1-12(23)27-14-10-9-13(11-15(14)26-8)16(21-17(24)19(2,3)4)22-18(25)20(5,6)7/h9-11,16H,1-8H3,(H,21,24)(H,22,25)

InChi Info:

AuxInfo=1/1/N:1,18,19,20,25,26,27,12,7,6,9,2,8,5,10,13,15,22,17,24,14,21,3,16,23,11,4/E:(2,3,4,5,6,7)(17,18)(19,20)(21,22)(24,25)/gE:(1,2)/rA:27nCCOOCCCCCCOCCNCOCCCCNCOCCCC/rB:s1;d2;s2;s4;s5;d6;s7;d8;d5s9;s10;s11;s8;s13;s14;d15;s15;s17;s17;s17;s13;s21;d22;s22;s24;s24;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₀H₃₀N₂O₅
All Atoms:	57
Heavy Atoms:	27
Chiral Atoms:	0

ZAP Information [?]

Total:	9.37711
Area:	600.63
Solvation:	-5.63864
Coulombic:	-66.5628

Bond Count [?]

All:	27
Single:	21
Double:	6
Rotors:	10
Chiral:	0
Rigid Segments:	8

Chemical Properties

Molecular Weight:	378.463
H-Bond Donors:	2
H-Bond Acceptors:	7
XLogP:	2.09
LogP (Chemaxon):	3.32

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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

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