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Chemical ID: 7273867

c1ccc(cc1)CC(C(=O)NCC2(CCCCC2)N3CCCCC3)NC(=O)N

Chemical ID:

7273867

Name [?]:

3-phenyl-N-[[1-(1-piperidyl)cyclohexyl]methyl]-2-ureido-propanamide

SMILES [?]:

c1ccc(cc1)CC(C(=O)NCC2(CCCCC2)N3CCCCC3)NC(=O)N

InChi [?]:

InChI=1/C22H34N4O2/c23-21(28)25-19(16-18-10-4-1-5-11-18)20(27)24-17-22(12-6-2-7-13-22)26-14-8-3-9-15-26/h1,4-5,10-11,19H,2-3,6-9,12-17H2,(H,24,27)(H3,23,25,28)

InChi Info:

AuxInfo=1/1/N:1,16,22,2,6,15,17,21,23,3,5,14,18,20,24,7,12,4,8,9,26,13,28,11,25,19,10,27/E:(4,5)(6,7)(8,9)(10,11)(12,13)(14,15)/rA:28cCCCCCCCCCONCCCCCCCNCCCCCNCON/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s9;s11;s12;s13;s14;s15;s16;s13s17;s13;s19;s20;s21;s22;s19s23;s8;s25;d26;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₂H₃₄N₄O₂
All Atoms:	62
Heavy Atoms:	28
Chiral Atoms:	1

ZAP Information [?]

Total:	11.5121
Area:	606.3
Solvation:	-3.64546
Coulombic:	-66.1965

Bond Count [?]

All:	30
Single:	25
Double:	5
Rotors:	9
Chiral:	0
Rigid Segments:	7

Chemical Properties

Molecular Weight:	386.531
H-Bond Donors:	4
H-Bond Acceptors:	6
XLogP:	2.51
LogP (Chemaxon):	1.92

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

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Chemical Mix	Source	External ID	Descriptor	Value