10-ethyl-10-hydroxy-22-(hydroxymethyl)-23-(3-methylbutyl)-8-oxa-4,15,21,23-tetrazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16(24),17,19,21-octaene-5,9-dione

C27H28N4O5 — CID 10311128

IUPAC10-ethyl-10-hydroxy-22-(hydroxymethyl)-23-(3-methylbutyl)-8-oxa-4,15,21,23-tetrazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16(24),17,19,21-octaene-5,9-dione
SMILESCCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1cccc3c1c2N(CCC(C)C)C(CO)=N3
InChIInChI=1S/C27H28N4O5/c1-4-27(35)17-10-20-23-15(11-31(20)25(33)16(17)13-36-26(27)34)24-22-18(6-5-7-19(22)29-23)28-21(12-32)30(24)9-8-14(2)3/h5-7,10,14,32,35H,4,8-9,11-13H2,1-3H3
InChIKeySMHJKAVEBQOXSS-UHFFFAOYSA-N
MW488.54 g/mol
LogP2.97
Rot. Bonds5

About 10-ethyl-10-hydroxy-22-(hydroxymethyl)-23-(3-methylbutyl)-8-oxa-4,15,21,23-tetrazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16(24),17,19,21-octaene-5,9-dione

10-ethyl-10-hydroxy-22-(hydroxymethyl)-23-(3-methylbutyl)-8-oxa-4,15,21,23-tetrazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16(24),17,19,21-octaene-5,9-dione (PubChem CID 10311128) has the molecular formula C27H28N4O5 and a molecular weight of 488.54 g/mol. Its IUPAC name is 10-ethyl-10-hydroxy-22-(hydroxymethyl)-23-(3-methylbutyl)-8-oxa-4,15,21,23-tetrazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16(24),17,19,21-octaene-5,9-dione.

Molecular Properties

Compound Name10-ethyl-10-hydroxy-22-(hydroxymethyl)-23-(3-methylbutyl)-8-oxa-4,15,21,23-tetrazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16(24),17,19,21-octaene-5,9-dione
PubChem CID10311128
Molecular FormulaC27H28N4O5
Molecular Weight488.54 g/mol
Exact Mass488.21
IUPAC Name10-ethyl-10-hydroxy-22-(hydroxymethyl)-23-(3-methylbutyl)-8-oxa-4,15,21,23-tetrazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16(24),17,19,21-octaene-5,9-dione
SMILESCCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1cccc3c1c2N(CCC(C)C)C(CO)=N3
InChIInChI=1S/C27H28N4O5/c1-4-27(35)17-10-20-23-15(11-31(20)25(33)16(17)13-36-26(27)34)24-22-18(6-5-7-19(22)29-23)28-21(12-32)30(24)9-8-14(2)3/h5-7,10,14,32,35H,4,8-9,11-13H2,1-3H3
InChIKeySMHJKAVEBQOXSS-UHFFFAOYSA-N
XLogP2.97
TPSA117.25 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.54
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 10-ethyl-10-hydroxy-22-(hydroxymethyl)-23-(3-methylbutyl)-8-oxa-4,15,21,23-tetrazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16(24),17,19,21-octaene-5,9-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

10-ethyl-10-hydroxy-23-pentyl-22-propyl-8-oxa-4,15,21,23-tetrazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16(24),17,19,21-octaene-5,9-dione
CID 10311309
[(10S)-22-(chloromethyl)-10-ethyl-23-(3-methylbutyl)-5,9-dioxo-8-oxa-4,15,21,23-tetrazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16(24),17,19,21-octaen-10-yl] acetate
CID 69035146
(10S)-10,23-diethyl-10-hydroxy-8-oxa-4,15,21,23-tetrazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16(24),17,19-heptaene-5,9,22-trione
CID 21054581
(19S)-19-ethyl-19-hydroxy-8-propan-2-yl-10-trimethylsilyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaene-14,18-dione
CID 11465396
19-ethyl-19-hydroxy-8,10-dimethyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaene-14,18-dione
CID 10429595
(10S)-10-ethyl-10-hydroxy-8,22-dioxa-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 10023268
10-ethyl-10-hydroxy-23-(2-morpholin-4-ylethyl)-8-oxa-4,15,21,23-tetrazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16(24),17,19,21-octaene-5,9-dione
CID 10289136
10-ethyl-10-hydroxy-23-(2-phenylethyl)-8-oxa-4,15,21,23-tetrazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16(24),17,19-heptaene-5,9,22-trione
CID 10174551
8-chloro-10,19-diethyl-19-hydroxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaene-14,18-dione
CID 76510529
10-ethyl-10-hydroxy-23-[2-(4-methoxyphenyl)ethyl]-8-oxa-4,15,21,23-tetrazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16(24),17,19,21-octaene-5,9-dione
CID 10289416
(10S)-10-ethyl-10-hydroxy-23-(2-pyridin-2-ylethyl)-8-oxa-4,15,21,23-tetrazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16(24),17,19-heptaene-5,9,22-trione
CID 21054611
(19S)-19-ethyl-19-hydroxy-7,8,10-trimethyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaene-14,18-dione
CID 54005453

Frequently Asked Questions

What is the IUPAC name of 10-ethyl-10-hydroxy-22-(hydroxymethyl)-23-(3-methylbutyl)-8-oxa-4,15,21,23-tetrazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16(24),17,19,21-octaene-5,9-dione?
The IUPAC name of 10-ethyl-10-hydroxy-22-(hydroxymethyl)-23-(3-methylbutyl)-8-oxa-4,15,21,23-tetrazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16(24),17,19,21-octaene-5,9-dione (CID 10311128) is 10-ethyl-10-hydroxy-22-(hydroxymethyl)-23-(3-methylbutyl)-8-oxa-4,15,21,23-tetrazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16(24),17,19,21-octaene-5,9-dione.
What is the SMILES notation for 10-ethyl-10-hydroxy-22-(hydroxymethyl)-23-(3-methylbutyl)-8-oxa-4,15,21,23-tetrazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16(24),17,19,21-octaene-5,9-dione?
The canonical SMILES for 10-ethyl-10-hydroxy-22-(hydroxymethyl)-23-(3-methylbutyl)-8-oxa-4,15,21,23-tetrazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16(24),17,19,21-octaene-5,9-dione is CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1cccc3c1c2N(CCC(C)C)C(CO)=N3.
What is the InChIKey of 10-ethyl-10-hydroxy-22-(hydroxymethyl)-23-(3-methylbutyl)-8-oxa-4,15,21,23-tetrazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16(24),17,19,21-octaene-5,9-dione?
The InChIKey is SMHJKAVEBQOXSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N4O5/c1-4-27(35)17-10-20-23-15(11-31(20)25(33)16(17)13-36-26(27)34)24-22-18(6-5-7-19(22)29-23)28-21(12-32)30(24)9-8-14(2)3/h5-7,10,14,32,35H,4,8-9,11-13H2,1-3H3.
What are the key properties of 10-ethyl-10-hydroxy-22-(hydroxymethyl)-23-(3-methylbutyl)-8-oxa-4,15,21,23-tetrazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16(24),17,19,21-octaene-5,9-dione?
10-ethyl-10-hydroxy-22-(hydroxymethyl)-23-(3-methylbutyl)-8-oxa-4,15,21,23-tetrazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16(24),17,19,21-octaene-5,9-dione has a molecular weight of 488.54 g/mol, XLogP of 2.97, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 10-ethyl-10-hydroxy-22-(hydroxymethyl)-23-(3-methylbutyl)-8-oxa-4,15,21,23-tetrazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16(24),17,19,21-octaene-5,9-dione is sourced from PubChem (CID 10311128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).