Chemical ID: 7248572

CCOC(=O)CCCNC(=O)CN1C(=O)C(NC1=O)(C)c2ccc3ccccc3c2
Chemical ID:
7248572
Name [?]:
ethyl 4-[2-[4-methyl-4-(2-naphthyl)-2,5-dioxo-imidazolidin-1-yl]acetyl]aminobutanoate
SMILES [?]:
CCOC(=O)CCCNC(=O)CN1C(=O)C(NC1=O)(C)c2ccc3ccccc3c2
InChi [?]:
InChI=1/C22H25N3O5/c1-3-30-19(27)9-6-12-23-18(26)14-25-20(28)22(2,24-21(25)29)17-11-10-15-7-4-5-8-16(15)13-17/h4-5,7-8,10-11,13H,3,6,9,12,14H2,1-2H3,(H,23,26)(H,24,29)
InChi Info:
AuxInfo=1/1/N:1,20,2,26,27,7,25,28,6,23,22,8,30,12,24,29,21,10,4,14,18,16,9,17,13,11,5,15,19,3/rA:30cCCOCOCCCNCOCNCOCNCOCCCCCCCCCCC/rB:s1;s2;s3;d4;s4;s6;s7;s8;s9;d10;s10;s12;s13;d14;s14;s16;s13s17;d18;s16;s16;s21;d22;s23;s24;d25;s26;d27;d24s28;d21s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H25N3O5
All Atoms:55
Heavy Atoms:30
Chiral Atoms:1
ZAP Information [?]
Total:11.6939
Area:663.96
Solvation:-4.90508
Coulombic:-79.7293
Bond Count [?]
All:32
Single:23
Double:9
Rotors:10
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:411.451
H-Bond Donors:2
H-Bond Acceptors:8
XLogP:1.99
LogP (Chemaxon):1.35

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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