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Chemical ID: 6676701

Chemical ID:

6676701

Name [?]:

(4-cyclohexylphenyl) (4-methoxyphenyl)aminoformate

SMILES [?]:

COc1ccc(cc1)NC(=O)Oc2ccc(cc2)C3CCCCC3

InChi [?]:

InChI=1/C20H23NO3/c1-23-18-13-9-17(10-14-18)21-20(22)24-19-11-7-16(8-12-19)15-5-3-2-4-6-15/h7-15H,2-6H2,1H3,(H,21,22)

InChi Info:

AuxInfo=1/1/N:1,22,21,23,20,24,15,17,5,7,14,18,4,8,19,16,6,3,13,10,9,11,2,12/E:(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)/rA:24nCOCCCCCCNCOOCCCCCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;d10;s10;s12;s13;d14;s15;d16;d13s17;s16;s19;s20;s21;s22;s19s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₀H₂₃NO₃
All Atoms:	24
Heavy Atoms:	24
Chiral Atoms:	0

ZAP Information [?]

Total:	10.9091
Area:	548.696
Solvation:	-2.80835
Coulombic:	-42.706

Bond Count [?]

All:	26
Single:	19
Double:	7
Rotors:	6
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	325.402
H-Bond Donors:	1
H-Bond Acceptors:	4
XLogP:	5.7
LogP (Chemaxon):	5.31

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value