Chemical ID: 3965803

CCCCC(C=O)NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1
Chemical ID:
3965803
Name [?]:
benzyl [1-(1-formylpentylcarbamoyl)-3-methyl-butyl]aminoformate
SMILES [?]:
CCCCC(C=O)NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1
InChi [?]:
InChI=1/C20H30N2O4/c1-4-5-11-17(13-23)21-19(24)18(12-15(2)3)22-20(25)26-14-16-9-7-6-8-10-16/h6-10,13,15,17-18H,4-5,11-12,14H2,1-3H3,(H,21,24)(H,22,25)
InChi Info:
AuxInfo=1/1/N:1,14,15,2,3,24,23,25,22,26,4,12,6,20,13,21,5,11,9,17,8,16,7,10,18,19/E:(2,3)(7,8)(9,10)/rA:26cCCCCCCONCOCCCCCNCOOCCCCCCC/rB:s1;s2;s3;s4;s5;d6;s5;s8;d9;s9;s11;s12;s13;s13;s11;s16;d17;s17;s19;s20;s21;d22;s23;d24;d21s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H30N2O4
All Atoms:26
Heavy Atoms:26
Chiral Atoms:2
ZAP Information [?]
Total:11.3273
Area:624.765
Solvation:-4.29182
Coulombic:-64.0162
Bond Count [?]
All:26
Single:20
Double:6
Rotors:14
Chiral:0
Rigid Segments:10
Chemical Properties
Molecular Weight:362.463
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:4.54
LogP (Chemaxon):3.2

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue