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Chemical ID: 6006694

CCCCN(CC(=O)NCC(=O)Nc1ccc(cc1)C)C(=O)CCc2ccccc2

Chemical ID:

6006694

Name [?]:

N-butyl-3-phenyl-N-(p-tolylcarbamoylmethylcarbamoylmethyl)propanamide

SMILES [?]:

CCCCN(CC(=O)NCC(=O)Nc1ccc(cc1)C)C(=O)CCc2ccccc2

InChi [?]:

InChI=1/C24H31N3O3/c1-3-4-16-27(24(30)15-12-20-8-6-5-7-9-20)18-23(29)25-17-22(28)26-21-13-10-19(2)11-14-21/h5-11,13-14H,3-4,12,15-18H2,1-2H3,(H,25,29)(H,26,28)

InChi Info:

AuxInfo=1/1/N:1,20,2,3,28,27,29,26,30,16,18,24,15,19,23,4,10,6,17,25,14,11,7,21,9,13,5,12,8,22/E:(6,7)(8,9)(10,11)(13,14)/rA:30nCCCCNCCONCCONCCCCCCCCOCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;d7;s7;s9;s10;d11;s11;s13;s14;d15;s16;d17;d14s18;s17;s5;d21;s21;s23;s24;s25;d26;s27;d28;d25s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₄H₃₁N₃O₃
All Atoms:	30
Heavy Atoms:	30
Chiral Atoms:	0

ZAP Information [?]

Total:	13.3435
Area:	712.965
Solvation:	-4.48058
Coulombic:	-59.1812

Bond Count [?]

All:	31
Single:	22
Double:	9
Rotors:	14
Chiral:	0
Rigid Segments:	9

Chemical Properties

Molecular Weight:	409.521
H-Bond Donors:	2
H-Bond Acceptors:	6
XLogP:	3.25
LogP (Chemaxon):	3.38

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