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Chemical ID: 5897083

CCc1ccccc1NC(=O)Nc2ccc(c(c2)C(=O)NC3CC3)N4CCC(CC4)C

Chemical ID:

5897083

Name [?]:

N-cyclopropyl-5-[(2-ethylphenyl)carbamoylamino]-2-(4-methyl-1-piperidyl)-benzamide

SMILES [?]:

CCc1ccccc1NC(=O)Nc2ccc(c(c2)C(=O)NC3CC3)N4CCC(CC4)C

InChi [?]:

InChI=1/C25H32N4O2/c1-3-18-6-4-5-7-22(18)28-25(31)27-20-10-11-23(29-14-12-17(2)13-15-29)21(16-20)24(30)26-19-8-9-19/h4-7,10-11,16-17,19H,3,8-9,12-15H2,1-2H3,(H,26,30)(H2,27,28,31)

InChi Info:

AuxInfo=1/1/N:1,31,2,5,6,4,7,23,24,14,15,27,29,26,30,18,28,3,22,13,17,8,16,19,10,21,12,9,25,20,11/E:(8,9)(12,13)(14,15)/rA:31nCCCCCCCCNCONCCCCCCCONCCCNCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;d10;s10;s12;s13;d14;s15;d16;d13s17;s17;d19;s19;s21;s22;s22s23;s16;s25;s26;s27;s28;s25s29;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₅H₃₂N₄O₂
All Atoms:	31
Heavy Atoms:	31
Chiral Atoms:	0

ZAP Information [?]

Total:	13.0911
Area:	676.13
Solvation:	-3.81215
Coulombic:	-62.134

Bond Count [?]

All:	34
Single:	26
Double:	8
Rotors:	9
Chiral:	0
Rigid Segments:	7

Chemical Properties

Molecular Weight:	420.547
H-Bond Donors:	3
H-Bond Acceptors:	6
XLogP:	4.7
LogP (Chemaxon):	4.33

Name Annotations

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

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