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Chemical ID: 5893714

CCCNC(=O)c1cc(ccc1N2CCCCC2)NC(=O)Nc3ccc(c(c3)C)C

Chemical ID:

5893714

Name [?]:

5-[(3,4-dimethylphenyl)carbamoylamino]-2-(1-piperidyl)-N-propyl-benzamide

SMILES [?]:

CCCNC(=O)c1cc(ccc1N2CCCCC2)NC(=O)Nc3ccc(c(c3)C)C

InChi [?]:

InChI=1/C24H32N4O2/c1-4-12-25-23(29)21-16-20(10-11-22(21)28-13-6-5-7-14-28)27-24(30)26-19-9-8-17(2)18(3)15-19/h8-11,15-16H,4-7,12-14H2,1-3H3,(H,25,29)(H2,26,27,30)

InChi Info:

AuxInfo=1/1/N:1,30,29,2,16,15,17,25,24,10,11,3,14,18,28,8,26,27,23,9,7,12,5,20,4,22,19,13,6,21/E:(6,7)(13,14)/rA:30nCCCNCOCCCCCCNCCCCCNCONCCCCCCCC/rB:s1;s2;s3;s4;d5;s5;s7;d8;s9;d10;d7s11;s12;s13;s14;s15;s16;s13s17;s9;s19;d20;s20;s22;s23;d24;s25;d26;d23s27;s27;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₄H₃₂N₄O₂
All Atoms:	30
Heavy Atoms:	30
Chiral Atoms:	0

ZAP Information [?]

Total:	12.8157
Area:	666.001
Solvation:	-3.83435
Coulombic:	-61.6415

Bond Count [?]

All:	32
Single:	24
Double:	8
Rotors:	9
Chiral:	0
Rigid Segments:	7

Chemical Properties

Molecular Weight:	408.537
H-Bond Donors:	3
H-Bond Acceptors:	6
XLogP:	4.61
LogP (Chemaxon):	5.14

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