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Chemical ID: 5976122

CCCCCc1ccc(cc1)C(=O)Nc2ccc(c(c2)C(=O)N3CCCC3)N(C)C

Chemical ID:

5976122

Name [?]:

N-(4-dimethylamino-3-pyrrolidin-1-ylcarbonyl-phenyl)-4-pentyl-benzamide

SMILES [?]:

CCCCCc1ccc(cc1)C(=O)Nc2ccc(c(c2)C(=O)N3CCCC3)N(C)C

InChi [?]:

InChI=1/C25H33N3O2/c1-4-5-6-9-19-10-12-20(13-11-19)24(29)26-21-14-15-23(27(2)3)22(18-21)25(30)28-16-7-8-17-28/h10-15,18H,4-9,16-17H2,1-3H3,(H,26,29)

InChi Info:

AuxInfo=1/1/N:1,29,30,2,3,4,25,26,5,7,11,8,10,16,17,24,27,20,6,9,15,19,18,12,21,14,28,23,13,22/E:(2,3)(7,8)(10,11)(12,13)(16,17)/rA:30nCCCCCCCCCCCCONCCCCCCCONCCCCNCC/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;d6s10;s9;d12;s12;s14;s15;d16;s17;d18;d15s19;s19;d21;s21;s23;s24;s25;s23s26;s18;s28;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₅H₃₃N₃O₂
All Atoms:	30
Heavy Atoms:	30
Chiral Atoms:	0

ZAP Information [?]

Total:	13.2124
Area:	680.186
Solvation:	-3.7922
Coulombic:	-46.1131

Bond Count [?]

All:	32
Single:	24
Double:	8
Rotors:	10
Chiral:	0
Rigid Segments:	8

Chemical Properties

Molecular Weight:	407.549
H-Bond Donors:	1
H-Bond Acceptors:	5
XLogP:	5.86
LogP (Chemaxon):	4.89

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