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Chemical ID: 5375169

CCCCC(=O)NC(c1cccc(c1)OCc2ccccc2)NC(=O)CCCC

Chemical ID:

5375169

Name [?]:

N-[(3-benzyloxyphenyl)-pentanoylamino-methyl]pentanamide

SMILES [?]:

CCCCC(=O)NC(c1cccc(c1)OCc2ccccc2)NC(=O)CCCC

InChi [?]:

InChI=1/C24H32N2O3/c1-3-5-15-22(27)25-24(26-23(28)16-6-4-2)20-13-10-14-21(17-20)29-18-19-11-8-7-9-12-19/h7-14,17,24H,3-6,15-16,18H2,1-2H3,(H,25,27)(H,26,28)

InChi Info:

AuxInfo=1/1/N:1,29,2,28,3,27,20,19,21,11,18,22,10,12,4,26,14,16,17,9,13,5,24,8,7,23,6,25,15/E:(1,2)(3,4)(5,6)(8,9)(11,12)(15,16)(22,23)(25,26)(27,28)/gE:(1,2)/rA:29nCCCCCONCCCCCCCOCCCCCCCNCOCCCC/rB:s1;s2;s3;s4;d5;s5;s7;s8;s9;d10;s11;d12;d9s13;s13;s15;s16;s17;d18;s19;d20;d17s21;s8;s23;d24;s24;s26;s27;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₄H₃₂N₂O₃
All Atoms:	29
Heavy Atoms:	29
Chiral Atoms:	0

ZAP Information [?]

Total:	12.3975
Area:	698.549
Solvation:	-5.0662
Coulombic:	-50.7205

Bond Count [?]

All:	30
Single:	22
Double:	8
Rotors:	14
Chiral:	0
Rigid Segments:	10

Chemical Properties

Molecular Weight:	396.523
H-Bond Donors:	2
H-Bond Acceptors:	5
XLogP:	5.57
LogP (Chemaxon):	4.73

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