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Chemical ID: 5894035

CCNC(=O)Nc1ccc(c(c1)C(=O)NCCc2ccccc2)N3CCCC3

Chemical ID:

5894035

Name [?]:

5-(ethylcarbamoylamino)-N-phenethyl-2-pyrrolidin-1-yl-benzamide

SMILES [?]:

CCNC(=O)Nc1ccc(c(c1)C(=O)NCCc2ccccc2)N3CCCC3

InChi [?]:

InChI=1/C22H28N4O2/c1-2-23-22(28)25-18-10-11-20(26-14-6-7-15-26)19(16-18)21(27)24-13-12-17-8-4-3-5-9-17/h3-5,8-11,16H,2,6-7,12-15H2,1H3,(H,24,27)(H2,23,25,28)

InChi Info:

AuxInfo=1/1/N:1,2,21,20,22,26,27,19,23,8,9,17,16,25,28,12,18,7,11,10,13,4,3,15,6,24,14,5/E:(4,5)(6,7)(8,9)(14,15)/rA:28nCCNCONCCCCCCCONCCCCCCCCNCCCC/rB:s1;s2;s3;d4;s4;s6;s7;d8;s9;d10;d7s11;s11;d13;s13;s15;s16;s17;s18;d19;s20;d21;d18s22;s10;s24;s25;s26;s24s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₂H₂₈N₄O₂
All Atoms:	28
Heavy Atoms:	28
Chiral Atoms:	0

ZAP Information [?]

Total:	11.9776
Area:	639.412
Solvation:	-4.00769
Coulombic:	-62.5904

Bond Count [?]

All:	30
Single:	22
Double:	8
Rotors:	10
Chiral:	0
Rigid Segments:	7

Chemical Properties

Molecular Weight:	380.483
H-Bond Donors:	3
H-Bond Acceptors:	6
XLogP:	3.33
LogP (Chemaxon):	3.21

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