ethane;18-fluoro-10-methoxy-19-methyl-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaene-5,9-dione;2-hydroxyethyl carbamate

C28H32FN3O7 — CID 166119302

IUPACethane;18-fluoro-10-methoxy-19-methyl-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaene-5,9-dione;2-hydroxyethyl carbamate
SMILESCC.COC1C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1cc(F)c(C)c3c1c2CCC3.NC(=O)OCCO
InChIInChI=1S/C23H19FN2O4.C3H7NO3.C2H6/c1-10-11-4-3-5-12-14-8-26-18(20(14)25-17(19(11)12)7-16(10)24)6-13-15(22(26)27)9-30-23(28)21(13)29-2;4-3(6)7-2-1-5;1-2/h6-7,21H,3-5,8-9H2,1-2H3;5H,1-2H2,(H2,4,6);1-2H3
InChIKeyQFQFJDPUFJKVHO-UHFFFAOYSA-N
MW541.58 g/mol
LogP3.21
Rot. Bonds3

About ethane;18-fluoro-10-methoxy-19-methyl-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaene-5,9-dione;2-hydroxyethyl carbamate

ethane;18-fluoro-10-methoxy-19-methyl-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaene-5,9-dione;2-hydroxyethyl carbamate (PubChem CID 166119302) has the molecular formula C28H32FN3O7 and a molecular weight of 541.58 g/mol. Its IUPAC name is ethane;18-fluoro-10-methoxy-19-methyl-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaene-5,9-dione;2-hydroxyethyl carbamate.

Molecular Properties

Compound Nameethane;18-fluoro-10-methoxy-19-methyl-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaene-5,9-dione;2-hydroxyethyl carbamate
PubChem CID166119302
Molecular FormulaC28H32FN3O7
Molecular Weight541.58 g/mol
Exact Mass541.22
IUPAC Nameethane;18-fluoro-10-methoxy-19-methyl-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaene-5,9-dione;2-hydroxyethyl carbamate
SMILESCC.COC1C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1cc(F)c(C)c3c1c2CCC3.NC(=O)OCCO
InChIInChI=1S/C23H19FN2O4.C3H7NO3.C2H6/c1-10-11-4-3-5-12-14-8-26-18(20(14)25-17(19(11)12)7-16(10)24)6-13-15(22(26)27)9-30-23(28)21(13)29-2;4-3(6)7-2-1-5;1-2/h6-7,21H,3-5,8-9H2,1-2H3;5H,1-2H2,(H2,4,6);1-2H3
InChIKeyQFQFJDPUFJKVHO-UHFFFAOYSA-N
XLogP3.21
TPSA142.97 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500541.58
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze ethane;18-fluoro-10-methoxy-19-methyl-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaene-5,9-dione;2-hydroxyethyl carbamate with MolForge

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Related Compounds

ethane;18-fluoro-10-hydroxy-19-methyl-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaene-5,9-dione;2-hydroxyacetamide
CID 164599847
2-amino-3-hydroxypropanamide;ethane;18-fluoro-10-hydroxy-19-methyl-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaene-5,9-dione;methanol
CID 170975372
ethane;18-fluoro-10-hydroxy-19-methyl-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaene-5,9-dione;formaldehyde;methoxymethane
CID 170975407
ethane;ethene;(10S)-18-fluoro-10-hydroxy-19-methyl-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaene-5,9-dione;methanamine
CID 170724281
10-ethyl-18-fluoro-19-methyl-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaene-5,9-dione;2-hydroxypropanamide
CID 176989064
azetidin-3-ylmethanol;ethane;18-fluoro-10-hydroxy-19-methyl-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaene-5,9-dione
CID 171831173
10-ethyl-18-fluoro-19-methyl-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaene-5,9-dione;1-hydroxycyclobutane-1-carboxamide
CID 176989144
10-ethyl-18-fluoro-19-methyl-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaene-5,9-dione;2-hydroxyacetaldehyde;trifluoromethanamine
CID 177137053
ethane;18-fluoro-10-hydroxy-19-methyl-8-oxa-4,15-diazahexacyclo[14.6.1.02,14.04,13.06,11.020,23]tricosa-1,6(11),12,14,16,18,20(23)-heptaene-5,9-dione
CID 166490463
2-[amino-[(Z)-1-amino-3-hydroxyprop-1-en-2-yl]amino]acetamide;ethane;18-fluoro-10-hydroxy-19-methyl-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaene-5,9-dione
CID 171559004
ethane;18-fluoro-10-hydroxy-19-methyl-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaene-5,9-dione;2H-triazol-4-ylmethanol
CID 171636258
2-[amino-[(Z)-2-amino-3-hydroxyprop-1-enyl]amino]acetamide;ethane;18-fluoro-10-hydroxy-19-methyl-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaene-5,9-dione
CID 171559085

Frequently Asked Questions

What is the IUPAC name of ethane;18-fluoro-10-methoxy-19-methyl-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaene-5,9-dione;2-hydroxyethyl carbamate?
The IUPAC name of ethane;18-fluoro-10-methoxy-19-methyl-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaene-5,9-dione;2-hydroxyethyl carbamate (CID 166119302) is ethane;18-fluoro-10-methoxy-19-methyl-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaene-5,9-dione;2-hydroxyethyl carbamate.
What is the SMILES notation for ethane;18-fluoro-10-methoxy-19-methyl-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaene-5,9-dione;2-hydroxyethyl carbamate?
The canonical SMILES for ethane;18-fluoro-10-methoxy-19-methyl-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaene-5,9-dione;2-hydroxyethyl carbamate is CC.COC1C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1cc(F)c(C)c3c1c2CCC3.NC(=O)OCCO.
What is the InChIKey of ethane;18-fluoro-10-methoxy-19-methyl-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaene-5,9-dione;2-hydroxyethyl carbamate?
The InChIKey is QFQFJDPUFJKVHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN2O4.C3H7NO3.C2H6/c1-10-11-4-3-5-12-14-8-26-18(20(14)25-17(19(11)12)7-16(10)24)6-13-15(22(26)27)9-30-23(28)21(13)29-2;4-3(6)7-2-1-5;1-2/h6-7,21H,3-5,8-9H2,1-2H3;5H,1-2H2,(H2,4,6);1-2H3.
What are the key properties of ethane;18-fluoro-10-methoxy-19-methyl-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaene-5,9-dione;2-hydroxyethyl carbamate?
ethane;18-fluoro-10-methoxy-19-methyl-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaene-5,9-dione;2-hydroxyethyl carbamate has a molecular weight of 541.58 g/mol, XLogP of 3.21, 3 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;18-fluoro-10-methoxy-19-methyl-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaene-5,9-dione;2-hydroxyethyl carbamate is sourced from PubChem (CID 166119302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).