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Chemical ID: 6844510

Cc1ccc(c(c1)NC(=O)c2ccc(cc2)OC(=O)CCc3ccccc3)C

Chemical ID:

6844510

Name [?]:

[4-[(2,5-dimethylphenyl)carbamoyl]phenyl] 3-phenylpropanoate

SMILES [?]:

Cc1ccc(c(c1)NC(=O)c2ccc(cc2)OC(=O)CCc3ccccc3)C

InChi [?]:

InChI=1/C24H23NO3/c1-17-8-9-18(2)22(16-17)25-24(27)20-11-13-21(14-12-20)28-23(26)15-10-19-6-4-3-5-7-19/h3-9,11-14,16H,10,15H2,1-2H3,(H,25,27)

InChi Info:

AuxInfo=1/1/N:1,28,25,24,26,23,27,3,4,21,12,16,13,15,20,7,2,5,22,11,14,6,18,9,8,19,10,17/E:(4,5)(6,7)(11,12)(13,14)/rA:28nCCCCCCCNCOCCCCCCOCOCCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s9;s11;d12;s13;d14;d11s15;s14;s17;d18;s18;s20;s21;s22;d23;s24;d25;d22s26;s5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₄H₂₃NO₃
All Atoms:	51
Heavy Atoms:	28
Chiral Atoms:	0

ZAP Information [?]

Total:	12.6637
Area:	628.957
Solvation:	-3.06021
Coulombic:	-41.8926

Bond Count [?]

All:	30
Single:	19
Double:	11
Rotors:	8
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	373.444
H-Bond Donors:	1
H-Bond Acceptors:	4
XLogP:	5.14
LogP (Chemaxon):	5.13

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