(10S)-19-amino-10-ethyl-10-hydroxy-18-methyl-8,21-dioxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16(24),17,19,22-octaene-5,9-dione

C23H19N3O5 — CID 172514891

IUPAC(10S)-19-amino-10-ethyl-10-hydroxy-18-methyl-8,21-dioxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16(24),17,19,22-octaene-5,9-dione
SMILESCC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1cc(C)c(N)c3c1c2C=CO3
InChIInChI=1S/C23H19N3O5/c1-3-23(29)14-7-16-19-12(8-26(16)21(27)13(14)9-31-22(23)28)11-4-5-30-20-17(11)15(25-19)6-10(2)18(20)24/h4-7,29H,3,8-9,24H2,1-2H3/t23-/m0/s1
InChIKeyNZFUZQJVYRAGMF-QHCPKHFHSA-N
MW417.42 g/mol
LogP2.33
Rot. Bonds1

About (10S)-19-amino-10-ethyl-10-hydroxy-18-methyl-8,21-dioxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16(24),17,19,22-octaene-5,9-dione

(10S)-19-amino-10-ethyl-10-hydroxy-18-methyl-8,21-dioxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16(24),17,19,22-octaene-5,9-dione (PubChem CID 172514891) has the molecular formula C23H19N3O5 and a molecular weight of 417.42 g/mol. Its IUPAC name is (10S)-19-amino-10-ethyl-10-hydroxy-18-methyl-8,21-dioxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16(24),17,19,22-octaene-5,9-dione.

Molecular Properties

Compound Name(10S)-19-amino-10-ethyl-10-hydroxy-18-methyl-8,21-dioxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16(24),17,19,22-octaene-5,9-dione
PubChem CID172514891
Molecular FormulaC23H19N3O5
Molecular Weight417.42 g/mol
Exact Mass417.13
IUPAC Name(10S)-19-amino-10-ethyl-10-hydroxy-18-methyl-8,21-dioxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16(24),17,19,22-octaene-5,9-dione
SMILESCC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1cc(C)c(N)c3c1c2C=CO3
InChIInChI=1S/C23H19N3O5/c1-3-23(29)14-7-16-19-12(8-26(16)21(27)13(14)9-31-22(23)28)11-4-5-30-20-17(11)15(25-19)6-10(2)18(20)24/h4-7,29H,3,8-9,24H2,1-2H3/t23-/m0/s1
InChIKeyNZFUZQJVYRAGMF-QHCPKHFHSA-N
XLogP2.33
TPSA116.67 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds1
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.42
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze (10S)-19-amino-10-ethyl-10-hydroxy-18-methyl-8,21-dioxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16(24),17,19,22-octaene-5,9-dione with MolForge

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Related Compounds

(10S)-10-ethyl-18-fluoro-10-hydroxy-19-(propan-2-ylamino)-8,21-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),22-octaene-5,9-dione
CID 172514785
(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
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-18-methyl-19-propan-2-yloxy-8-oxa-21-thia-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16(24),17,19,22-octaene-5,9-dione
CID 172514792
19-(aminomethyl)-10-ethyl-10-hydroxy-8,21-dioxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16(24),17,19-heptaene-5,9-dione
CID 15045597
(10S)-10-ethyl-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),21-octaene-5,9,23-trione
CID 170741578
(10S)-10-ethyl-18-fluoro-10,19-dihydroxy-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 176814549
10-amino-7,19-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 174484471
(19S)-10-(aminomethyl)-19-ethyl-8-fluoro-19-hydroxy-7-methyl-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 172570658
(19S)-10-(aminomethyl)-19-ethyl-6-fluoro-19-hydroxy-7,8-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 170219020
(10S)-10-ethyl-10-hydroxy-21-oxo-19-(propan-2-ylamino)-8-oxa-21λ4-thia-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16(24),17,19,22-octaene-5,9-dione
CID 172514922
(19S)-10-(aminomethyl)-19-ethyl-6,8-difluoro-19-hydroxy-7-methyl-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 170218975

Frequently Asked Questions

What is the IUPAC name of (10S)-19-amino-10-ethyl-10-hydroxy-18-methyl-8,21-dioxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16(24),17,19,22-octaene-5,9-dione?
The IUPAC name of (10S)-19-amino-10-ethyl-10-hydroxy-18-methyl-8,21-dioxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16(24),17,19,22-octaene-5,9-dione (CID 172514891) is (10S)-19-amino-10-ethyl-10-hydroxy-18-methyl-8,21-dioxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16(24),17,19,22-octaene-5,9-dione.
What is the SMILES notation for (10S)-19-amino-10-ethyl-10-hydroxy-18-methyl-8,21-dioxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16(24),17,19,22-octaene-5,9-dione?
The canonical SMILES for (10S)-19-amino-10-ethyl-10-hydroxy-18-methyl-8,21-dioxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16(24),17,19,22-octaene-5,9-dione is CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1cc(C)c(N)c3c1c2C=CO3.
What is the InChIKey of (10S)-19-amino-10-ethyl-10-hydroxy-18-methyl-8,21-dioxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16(24),17,19,22-octaene-5,9-dione?
The InChIKey is NZFUZQJVYRAGMF-QHCPKHFHSA-N. The full InChI is InChI=1S/C23H19N3O5/c1-3-23(29)14-7-16-19-12(8-26(16)21(27)13(14)9-31-22(23)28)11-4-5-30-20-17(11)15(25-19)6-10(2)18(20)24/h4-7,29H,3,8-9,24H2,1-2H3/t23-/m0/s1.
What are the key properties of (10S)-19-amino-10-ethyl-10-hydroxy-18-methyl-8,21-dioxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16(24),17,19,22-octaene-5,9-dione?
(10S)-19-amino-10-ethyl-10-hydroxy-18-methyl-8,21-dioxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16(24),17,19,22-octaene-5,9-dione has a molecular weight of 417.42 g/mol, XLogP of 2.33, 1 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (10S)-19-amino-10-ethyl-10-hydroxy-18-methyl-8,21-dioxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16(24),17,19,22-octaene-5,9-dione is sourced from PubChem (CID 172514891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).