Chemical ID: 5248236

CCC(C)OC(=O)Nc1ccc(c(c1)NC(=O)OC(C)CC)C
Chemical ID:
5248236
Name [?]:
sec-butyl (4-methyl-3-sec-butoxycarbonylamino-phenyl)aminoformate
SMILES [?]:
CCC(C)OC(=O)Nc1ccc(c(c1)NC(=O)OC(C)CC)C
InChi [?]:
InChI=1/C17H26N2O4/c1-6-12(4)22-16(20)18-14-9-8-11(3)15(10-14)19-17(21)23-13(5)7-2/h8-10,12-13H,6-7H2,1-5H3,(H,18,20)(H,19,21)
InChi Info:
AuxInfo=1/1/N:1,22,23,4,20,2,21,11,10,14,12,3,19,9,13,6,16,8,15,7,17,5,18/rA:23cCCCCOCONCCCCCCNCOOCCCCC/rB:s1;s2;s3;s3;s5;d6;s6;s8;s9;d10;s11;d12;d9s13;s13;s15;d16;s16;s18;s19;s19;s21;s12;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H26N2O4
All Atoms:23
Heavy Atoms:23
Chiral Atoms:2
ZAP Information [?]
Total:12.0043
Area:566.721
Solvation:-2.16375
Coulombic:-67.6288
Bond Count [?]
All:23
Single:18
Double:5
Rotors:10
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:322.399
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:3.58
LogP (Chemaxon):4.86

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Descriptor Annotations

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