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Chemical ID: 5892722

c1ccc(cc1)CCC(=O)Nc2ccc(c(c2)C(=O)NC3CC3)N4CCCC4

Chemical ID:

5892722

Name [?]:

N-cyclopropyl-5-(3-phenylpropanoylamino)-2-pyrrolidin-1-yl-benzamide

SMILES [?]:

c1ccc(cc1)CCC(=O)Nc2ccc(c(c2)C(=O)NC3CC3)N4CCCC4

InChi [?]:

InChI=1/C23H27N3O2/c27-22(13-8-17-6-2-1-3-7-17)24-19-11-12-21(26-14-4-5-15-26)20(16-19)23(28)25-18-9-10-18/h1-3,6-7,11-12,16,18H,4-5,8-10,13-15H2,(H,24,27)(H,25,28)

InChi Info:

AuxInfo=1/1/N:1,2,6,26,27,3,5,7,22,23,13,14,8,25,28,17,4,21,12,16,15,9,18,11,20,24,10,19/E:(2,3)(4,5)(6,7)(9,10)(14,15)/rA:28nCCCCCCCCCONCCCCCCCONCCCNCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s9;s11;s12;d13;s14;d15;d12s16;s16;d18;s18;s20;s21;s21s22;s15;s24;s25;s26;s24s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₃H₂₇N₃O₂
All Atoms:	28
Heavy Atoms:	28
Chiral Atoms:	0

ZAP Information [?]

Total:	11.6527
Area:	628.81
Solvation:	-4.06752
Coulombic:	-47.6853

Bond Count [?]

All:	31
Single:	23
Double:	8
Rotors:	9
Chiral:	0
Rigid Segments:	7

Chemical Properties

Molecular Weight:	377.479
H-Bond Donors:	2
H-Bond Acceptors:	5
XLogP:	3.64
LogP (Chemaxon):	3.5

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