Chemical ID: 7015311

CCCOc1cccc(c1)C(=O)C2=C(C(=O)N(C2c3ccc(cc3)C)CCCOC)O
Chemical ID:
7015311
Name [?]:
3-hydroxy-1-(3-methoxypropyl)-4-(3-propoxybenzoyl)-5-(p-tolyl)-5H-pyrrol-2-one
SMILES [?]:
CCCOc1cccc(c1)C(=O)C2=C(C(=O)N(C2c3ccc(cc3)C)CCCOC)O
InChi [?]:
InChI=1/C25H29NO5/c1-4-14-31-20-8-5-7-19(16-20)23(27)21-22(18-11-9-17(2)10-12-18)26(13-6-15-30-3)25(29)24(21)28/h5,7-12,16,22,28H,4,6,13-15H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,25,30,2,7,27,8,6,21,23,20,24,26,3,28,10,22,19,9,5,13,18,11,14,15,17,12,31,16,29,4/E:(9,10)(11,12)/rA:31cCCCOCCCCCCCOCCCONCCCCCCCCCCCOCO/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s9;d11;s11;d13;s14;d15;s15;s13s17;s18;s19;d20;s21;d22;d19s23;s22;s17;s26;s27;s28;s29;s14;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C25H29NO5
All Atoms:60
Heavy Atoms:31
Chiral Atoms:1
ZAP Information [?]
Total:10.8707
Area:696.18
Solvation:-6.53384
Coulombic:-58.8687
Bond Count [?]
All:33
Single:24
Double:9
Rotors:10
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:423.501
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:4.5
LogP (Chemaxon):3.14

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Descriptor Annotations

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