Chemical ID: 6003898

CCCN(CC(=O)NCC(=O)Nc1ccc(cc1)OC)C(=O)C
Chemical ID:
6003898
Name [?]:
N-[(4-methoxyphenyl)carbamoylmethylcarbamoylmethyl]-N-propyl-acetamide
SMILES [?]:
CCCN(CC(=O)NCC(=O)Nc1ccc(cc1)OC)C(=O)C
InChi [?]:
InChI=1/C16H23N3O4/c1-4-9-19(12(2)20)11-16(22)17-10-15(21)18-13-5-7-14(23-3)8-6-13/h5-8H,4,9-11H2,1-3H3,(H,17,22)(H,18,21)
InChi Info:
AuxInfo=1/1/N:1,23,20,2,14,18,15,17,3,9,5,21,13,16,10,6,8,12,4,22,11,7,19/E:(5,6)(7,8)/rA:23nCCCNCCONCCONCCCCCCOCCOC/rB:s1;s2;s3;s4;s5;d6;s6;s8;s9;d10;s10;s12;s13;d14;s15;d16;d13s17;s16;s19;s4;d21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H23N3O4
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:8.41425
Area:562.883
Solvation:-5.65782
Coulombic:-62.4971
Bond Count [?]
All:23
Single:17
Double:6
Rotors:11
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:321.372
H-Bond Donors:2
H-Bond Acceptors:7
XLogP:0.46
LogP (Chemaxon):0.02

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Descriptor Annotations

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