(1R,5S,8S,20S,23S)-N-(3-chlorophenyl)-23-hydroxy-4,10-dioxo-14-propan-2-yl-17,24-dioxa-3,6,9-triazatetracyclo[18.3.1.15,8.011,16]pentacosa-11(16),12,14-triene-6-carboxamide

C30H37ClN4O6 — CID 172883722

IUPAC(1R,5S,8S,20S,23S)-N-(3-chlorophenyl)-23-hydroxy-4,10-dioxo-14-propan-2-yl-17,24-dioxa-3,6,9-triazatetracyclo[18.3.1.15,8.011,16]pentacosa-11(16),12,14-triene-6-carboxamide
SMILESCC(C)c1ccc2c(c1)OCC[C@@H]1CC[C@H](O)[C@@H](CNC(=O)[C@@H]3C[C@@H](CN3C(=O)Nc3cccc(Cl)c3)NC2=O)O1
InChIInChI=1S/C30H37ClN4O6/c1-17(2)18-6-8-23-26(12-18)40-11-10-22-7-9-25(36)27(41-22)15-32-29(38)24-14-21(33-28(23)37)16-35(24)30(39)34-20-5-3-4-19(31)13-20/h3-6,8,12-13,17,21-22,24-25,27,36H,7,9-11,14-16H2,1-2H3,(H,32,38)(H,33,37)(H,34,39)/t21-,22-,24-,25-,27+/m0/s1
InChIKeyWZJMVVXOVJMHMC-ZUGAHZRVSA-N
MW585.10 g/mol
LogP3.68
Rot. Bonds2

About (1R,5S,8S,20S,23S)-N-(3-chlorophenyl)-23-hydroxy-4,10-dioxo-14-propan-2-yl-17,24-dioxa-3,6,9-triazatetracyclo[18.3.1.15,8.011,16]pentacosa-11(16),12,14-triene-6-carboxamide

(1R,5S,8S,20S,23S)-N-(3-chlorophenyl)-23-hydroxy-4,10-dioxo-14-propan-2-yl-17,24-dioxa-3,6,9-triazatetracyclo[18.3.1.15,8.011,16]pentacosa-11(16),12,14-triene-6-carboxamide (PubChem CID 172883722) has the molecular formula C30H37ClN4O6 and a molecular weight of 585.10 g/mol. Its IUPAC name is (1R,5S,8S,20S,23S)-N-(3-chlorophenyl)-23-hydroxy-4,10-dioxo-14-propan-2-yl-17,24-dioxa-3,6,9-triazatetracyclo[18.3.1.15,8.011,16]pentacosa-11(16),12,14-triene-6-carboxamide.

Molecular Properties

Compound Name(1R,5S,8S,20S,23S)-N-(3-chlorophenyl)-23-hydroxy-4,10-dioxo-14-propan-2-yl-17,24-dioxa-3,6,9-triazatetracyclo[18.3.1.15,8.011,16]pentacosa-11(16),12,14-triene-6-carboxamide
PubChem CID172883722
Molecular FormulaC30H37ClN4O6
Molecular Weight585.10 g/mol
Exact Mass584.24
IUPAC Name(1R,5S,8S,20S,23S)-N-(3-chlorophenyl)-23-hydroxy-4,10-dioxo-14-propan-2-yl-17,24-dioxa-3,6,9-triazatetracyclo[18.3.1.15,8.011,16]pentacosa-11(16),12,14-triene-6-carboxamide
SMILESCC(C)c1ccc2c(c1)OCC[C@@H]1CC[C@H](O)[C@@H](CNC(=O)[C@@H]3C[C@@H](CN3C(=O)Nc3cccc(Cl)c3)NC2=O)O1
InChIInChI=1S/C30H37ClN4O6/c1-17(2)18-6-8-23-26(12-18)40-11-10-22-7-9-25(36)27(41-22)15-32-29(38)24-14-21(33-28(23)37)16-35(24)30(39)34-20-5-3-4-19(31)13-20/h3-6,8,12-13,17,21-22,24-25,27,36H,7,9-11,14-16H2,1-2H3,(H,32,38)(H,33,37)(H,34,39)/t21-,22-,24-,25-,27+/m0/s1
InChIKeyWZJMVVXOVJMHMC-ZUGAHZRVSA-N
XLogP3.68
TPSA129.23 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500585.10
LogP ≤ 53.68
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze (1R,5S,8S,20S,23S)-N-(3-chlorophenyl)-23-hydroxy-4,10-dioxo-14-propan-2-yl-17,24-dioxa-3,6,9-triazatetracyclo[18.3.1.15,8.011,16]pentacosa-11(16),12,14-triene-6-carboxamide with MolForge

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Related Compounds

(1R,5S,8S,20S,23S)-N-ethyl-23-hydroxy-4,10-dioxo-14-propan-2-yl-17,24-dioxa-3,6,9-triazatetracyclo[18.3.1.15,8.011,16]pentacosa-11(16),12,14-triene-6-carboxamide
CID 172883711
(1R,5S,8S,20S,23S)-23-hydroxy-6-(4-methylcyclohexyl)-17,24-dioxa-3,6,9-triazatetracyclo[18.3.1.15,8.011,16]pentacosa-11,13,15-triene-4,10-dione
CID 125415840
(1R,5S,8S,20S,23S)-14-cyclopentyl-6-(4,4-difluorocyclohexyl)-23-hydroxy-17,24-dioxa-3,6,9-triazatetracyclo[18.3.1.15,8.011,16]pentacosa-11(16),12,14-triene-4,10-dione
CID 125415794
(1R,5S,21S,24S)-7-benzyl-24-hydroxy-15-phenyl-18,25-dioxa-3,7,10-triazatetracyclo[19.3.1.05,10.012,17]pentacosa-12(17),13,15-triene-4,11-dione
CID 122165383
1-[(3-chlorophenyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 16775382
(2S,4R)-1-[(3-chlorophenyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 30045568
1-(3-chlorophenyl)-3-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]urea
CID 17182100
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CID 44996296
(2R,6R)-N-(3-chlorophenyl)-2,6-dimethylmorpholine-4-carboxamide
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Frequently Asked Questions

What is the IUPAC name of (1R,5S,8S,20S,23S)-N-(3-chlorophenyl)-23-hydroxy-4,10-dioxo-14-propan-2-yl-17,24-dioxa-3,6,9-triazatetracyclo[18.3.1.15,8.011,16]pentacosa-11(16),12,14-triene-6-carboxamide?
The IUPAC name of (1R,5S,8S,20S,23S)-N-(3-chlorophenyl)-23-hydroxy-4,10-dioxo-14-propan-2-yl-17,24-dioxa-3,6,9-triazatetracyclo[18.3.1.15,8.011,16]pentacosa-11(16),12,14-triene-6-carboxamide (CID 172883722) is (1R,5S,8S,20S,23S)-N-(3-chlorophenyl)-23-hydroxy-4,10-dioxo-14-propan-2-yl-17,24-dioxa-3,6,9-triazatetracyclo[18.3.1.15,8.011,16]pentacosa-11(16),12,14-triene-6-carboxamide.
What is the SMILES notation for (1R,5S,8S,20S,23S)-N-(3-chlorophenyl)-23-hydroxy-4,10-dioxo-14-propan-2-yl-17,24-dioxa-3,6,9-triazatetracyclo[18.3.1.15,8.011,16]pentacosa-11(16),12,14-triene-6-carboxamide?
The canonical SMILES for (1R,5S,8S,20S,23S)-N-(3-chlorophenyl)-23-hydroxy-4,10-dioxo-14-propan-2-yl-17,24-dioxa-3,6,9-triazatetracyclo[18.3.1.15,8.011,16]pentacosa-11(16),12,14-triene-6-carboxamide is CC(C)c1ccc2c(c1)OCC[C@@H]1CC[C@H](O)[C@@H](CNC(=O)[C@@H]3C[C@@H](CN3C(=O)Nc3cccc(Cl)c3)NC2=O)O1.
What is the InChIKey of (1R,5S,8S,20S,23S)-N-(3-chlorophenyl)-23-hydroxy-4,10-dioxo-14-propan-2-yl-17,24-dioxa-3,6,9-triazatetracyclo[18.3.1.15,8.011,16]pentacosa-11(16),12,14-triene-6-carboxamide?
The InChIKey is WZJMVVXOVJMHMC-ZUGAHZRVSA-N. The full InChI is InChI=1S/C30H37ClN4O6/c1-17(2)18-6-8-23-26(12-18)40-11-10-22-7-9-25(36)27(41-22)15-32-29(38)24-14-21(33-28(23)37)16-35(24)30(39)34-20-5-3-4-19(31)13-20/h3-6,8,12-13,17,21-22,24-25,27,36H,7,9-11,14-16H2,1-2H3,(H,32,38)(H,33,37)(H,34,39)/t21-,22-,24-,25-,27+/m0/s1.
What are the key properties of (1R,5S,8S,20S,23S)-N-(3-chlorophenyl)-23-hydroxy-4,10-dioxo-14-propan-2-yl-17,24-dioxa-3,6,9-triazatetracyclo[18.3.1.15,8.011,16]pentacosa-11(16),12,14-triene-6-carboxamide?
(1R,5S,8S,20S,23S)-N-(3-chlorophenyl)-23-hydroxy-4,10-dioxo-14-propan-2-yl-17,24-dioxa-3,6,9-triazatetracyclo[18.3.1.15,8.011,16]pentacosa-11(16),12,14-triene-6-carboxamide has a molecular weight of 585.10 g/mol, XLogP of 3.68, 2 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S,8S,20S,23S)-N-(3-chlorophenyl)-23-hydroxy-4,10-dioxo-14-propan-2-yl-17,24-dioxa-3,6,9-triazatetracyclo[18.3.1.15,8.011,16]pentacosa-11(16),12,14-triene-6-carboxamide is sourced from PubChem (CID 172883722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).