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Chemical ID: 6003851

CCCCN(CC(=O)NCC(=O)Nc1ccc(cc1)OC)C(=O)CCc2ccccc2

Chemical ID:

6003851

Name [?]:

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

SMILES [?]:

CCCCN(CC(=O)NCC(=O)Nc1ccc(cc1)OC)C(=O)CCc2ccccc2

InChi [?]:

InChI=1/C24H31N3O4/c1-3-4-16-27(24(30)15-10-19-8-6-5-7-9-19)18-23(29)25-17-22(28)26-20-11-13-21(31-2)14-12-20/h5-9,11-14H,3-4,10,15-18H2,1-2H3,(H,25,29)(H,26,28)

InChi Info:

AuxInfo=1/1/N:1,21,2,3,29,28,30,27,31,25,15,19,16,18,24,4,10,6,26,14,17,11,7,22,9,13,5,12,8,23,20/E:(6,7)(8,9)(11,12)(13,14)/rA:31nCCCCNCCONCCONCCCCCCOCCOCCCCCCCC/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;d27;s28;d29;d26s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₄H₃₁N₃O₄
All Atoms:	31
Heavy Atoms:	31
Chiral Atoms:	0

ZAP Information [?]

Total:	12.4703
Area:	727.136
Solvation:	-5.70812
Coulombic:	-65.6017

Bond Count [?]

All:	32
Single:	23
Double:	9
Rotors:	15
Chiral:	0
Rigid Segments:	10

Chemical Properties

Molecular Weight:	425.521
H-Bond Donors:	2
H-Bond Acceptors:	7
XLogP:	2.73
LogP (Chemaxon):	2.66

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