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Chemical ID: 6018545

CCCNC(=O)CC(c1cc(cc(c1)OC)OC)c2cn(c3c2cccc3)Cc4ccccc4

Chemical ID:

6018545

Name [?]:

3-(1-benzylindol-3-yl)-3-(3,5-dimethoxyphenyl)-N-propyl-propanamide

SMILES [?]:

CCCNC(=O)CC(c1cc(cc(c1)OC)OC)c2cn(c3c2cccc3)Cc4ccccc4

InChi [?]:

InChI=1/C29H32N2O3/c1-4-14-30-29(32)18-26(22-15-23(33-2)17-24(16-22)34-3)27-20-31(19-21-10-6-5-7-11-21)28-13-9-8-12-25(27)28/h5-13,15-17,20,26H,4,14,18-19H2,1-3H3,(H,30,32)

InChi Info:

AuxInfo=1/1/N:1,16,18,2,32,31,33,25,26,30,34,24,27,3,14,10,12,7,28,20,29,9,13,11,23,8,19,22,5,4,21,6,15,17/E:(2,3)(6,7)(10,11)(15,16)(23,24)(33,34)/rA:34cCCCNCOCCCCCCCCOCOCCCNCCCCCCCCCCCCC/rB:s1;s2;s3;s4;d5;s5;s7;s8;s9;d10;s11;d12;d9s13;s13;s15;s11;s17;s8;d19;s20;s21;s19s22;d23;s24;d25;d22s26;s21;s28;s29;d30;s31;d32;d29s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₉H₃₂N₂O₃
All Atoms:	34
Heavy Atoms:	34
Chiral Atoms:	1

ZAP Information [?]

Total:	12.3465
Area:	727.527
Solvation:	-5.84163
Coulombic:	-42.7787

Bond Count [?]

All:	37
Single:	26
Double:	11
Rotors:	11
Chiral:	0
Rigid Segments:	9

Chemical Properties

Molecular Weight:	456.576
H-Bond Donors:	1
H-Bond Acceptors:	4
XLogP:	5.59
LogP (Chemaxon):	5.73

Name Annotations

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

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