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Chemical ID: 5889560

CCc1ccc(cc1)NC(=O)Nc2ccc(c(c2)C(=O)NC(C)C)N3CCCC3

Chemical ID:

5889560

Name [?]:

5-[(4-ethylphenyl)carbamoylamino]-N-isopropyl-2-pyrrolidin-1-yl-benzamide

SMILES [?]:

CCc1ccc(cc1)NC(=O)Nc2ccc(c(c2)C(=O)NC(C)C)N3CCCC3

InChi [?]:

InChI=1/C23H30N4O2/c1-4-17-7-9-18(10-8-17)25-23(29)26-19-11-12-21(27-13-5-6-14-27)20(15-19)22(28)24-16(2)3/h7-12,15-16H,4-6,13-14H2,1-3H3,(H,24,28)(H2,25,26,29)

InChi Info:

AuxInfo=1/1/N:1,23,24,2,27,28,4,8,5,7,14,15,26,29,18,22,3,6,13,17,16,19,10,21,9,12,25,20,11/E:(2,3)(5,6)(7,8)(9,10)(13,14)/rA:29nCCCCCCCCNCONCCCCCCCONCCCNCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;d10;s10;s12;s13;d14;s15;d16;d13s17;s17;d19;s19;s21;s22;s22;s16;s25;s26;s27;s25s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₃H₃₀N₄O₂
All Atoms:	29
Heavy Atoms:	29
Chiral Atoms:	0

ZAP Information [?]

Total:	12.3177
Area:	644.828
Solvation:	-3.803
Coulombic:	-61.7619

Bond Count [?]

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

Chemical Properties

Molecular Weight:	394.51
H-Bond Donors:	3
H-Bond Acceptors:	6
XLogP:	4.39
LogP (Chemaxon):	4.61

Name Annotations

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

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