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Chemical ID: 6003840

CCCCN(CC(=O)NCC(=O)Nc1ccc(cc1)OC)C(=O)CCC2CCCC2

Chemical ID:

6003840

Name [?]:

N-butyl-3-cyclopentyl-N-[(4-methoxyphenyl)carbamoylmethylcarbamoylmethyl]propanamide

SMILES [?]:

CCCCN(CC(=O)NCC(=O)Nc1ccc(cc1)OC)C(=O)CCC2CCCC2

InChi [?]:

InChI=1/C23H35N3O4/c1-3-4-15-26(23(29)14-9-18-7-5-6-8-18)17-22(28)24-16-21(27)25-19-10-12-20(30-2)13-11-19/h10-13,18H,3-9,14-17H2,1-2H3,(H,24,28)(H,25,27)

InChi Info:

AuxInfo=1/1/N:1,21,2,3,28,29,27,30,25,15,19,16,18,24,4,10,6,26,14,17,11,7,22,9,13,5,12,8,23,20/E:(5,6)(7,8)(10,11)(12,13)/rA:30nCCCCNCCONCCONCCCCCCOCCOCCCCCCC/rB:s1;s2;s3;s4;s5;s6;d7;s7;s9;s10;d11;s11;s13;s14;d15;s16;d17;d14s18;s17;s20;s5;d22;s22;s24;s25;s26;s27;s28;s26s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₃H₃₅N₃O₄
All Atoms:	30
Heavy Atoms:	30
Chiral Atoms:	0

ZAP Information [?]

Total:	12.4445
Area:	716.397
Solvation:	-5.4654
Coulombic:	-64.9351

Bond Count [?]

All:	31
Single:	25
Double:	6
Rotors:	15
Chiral:	0
Rigid Segments:	10

Chemical Properties

Molecular Weight:	417.542
H-Bond Donors:	2
H-Bond Acceptors:	7
XLogP:	3.72
LogP (Chemaxon):	2.46

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