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Chemical ID: 4631714

CC(=NNC(=O)COc1cccc2c1cccc2)CC(=O)NCCCN3CCOCC3

Chemical ID:

4631714

Name [?]:

N-(3-morpholinopropyl)-3-[2-(1-naphthyloxy)acetyl]aminoimino-butanamide

SMILES [?]:

CC(=NNC(=O)COc1cccc2c1cccc2)CC(=O)NCCCN3CCOCC3

InChi [?]:

InChI=1/C23H30N4O4/c1-18(16-22(28)24-10-5-11-27-12-14-30-15-13-27)25-26-23(29)17-31-21-9-4-7-19-6-2-3-8-20(19)21/h2-4,6-9H,5,10-17H2,1H3,(H,24,28)(H,26,29)

InChi Info:

AuxInfo=1/1/N:1,17,16,11,24,18,12,15,10,23,25,27,31,28,30,19,7,2,13,14,9,20,5,22,3,4,26,21,6,29,8/E:(12,13)(14,15)/rA:31nCCNNCOCOCCCCCCCCCCCCONCCCNCCOCC/rB:s1;w2;s3;s4;d5;s5;s7;s8;s9;d10;s11;d12;d9s13;s14;d15;s16;s13d17;s2;s19;d20;s20;s22;s23;s24;s25;s26;s27;s28;s29;s26s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₃H₃₀N₄O₄
All Atoms:	31
Heavy Atoms:	31
Chiral Atoms:	0

ZAP Information [?]

Total:	9.45246
Area:	713.694
Solvation:	-8.38989
Coulombic:	-58.0937

Bond Count [?]

All:	33
Single:	25
Double:	8
Rotors:	12
Chiral:	1
Rigid Segments:	8

Chemical Properties

Molecular Weight:	426.509
H-Bond Donors:	2
H-Bond Acceptors:	8
XLogP:	2.21
LogP (Chemaxon):	1.5

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