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Chemical ID: 6006433

CCCCC(CC)C(=O)N(CC(=O)NCC(=O)Nc1ccc(cc1)OC)C2CC2

Chemical ID:

6006433

Name [?]:

N-cyclopropyl-2-ethyl-N-[(4-methoxyphenyl)carbamoylmethylcarbamoylmethyl]hexanamide

SMILES [?]:

CCCCC(CC)C(=O)N(CC(=O)NCC(=O)Nc1ccc(cc1)OC)C2CC2

InChi [?]:

InChI=1/C22H33N3O4/c1-4-6-7-16(5-2)22(28)25(18-10-11-18)15-21(27)23-14-20(26)24-17-8-12-19(29-3)13-9-17/h8-9,12-13,16,18H,4-7,10-11,14-15H2,1-3H3,(H,23,27)(H,24,26)

InChi Info:

AuxInfo=1/1/N:1,7,26,2,6,3,4,20,24,28,29,21,23,15,11,5,19,27,22,16,12,8,14,18,10,17,13,9,25/E:(8,9)(10,11)(12,13)/rA:29cCCCCCCCCONCCONCCONCCCCCCOCCCC/rB:s1;s2;s3;s4;s5;s6;s5;d8;s8;s10;s11;d12;s12;s14;s15;d16;s16;s18;s19;d20;s21;d22;d19s23;s22;s25;s10;s27;s27s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₂H₃₃N₃O₄
All Atoms:	29
Heavy Atoms:	29
Chiral Atoms:	1

ZAP Information [?]

Total:	11.5523
Area:	672.539
Solvation:	-5.26113
Coulombic:	-65.0906

Bond Count [?]

All:	30
Single:	24
Double:	6
Rotors:	15
Chiral:	0
Rigid Segments:	10

Chemical Properties

Molecular Weight:	403.515
H-Bond Donors:	2
H-Bond Acceptors:	7
XLogP:	3.04
LogP (Chemaxon):	2.38

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