[(1S,12S,14R)-9-hydroxy-4-methyl-11-oxa-4-azatetracyclo[8.6.1.01,12.06,17]heptadeca-6(17),7,9,15-tetraen-14-yl] N-naphthalen-1-ylcarbamate

C27H26N2O4 — CID 10203755

IUPAC[(1S,12S,14R)-9-hydroxy-4-methyl-11-oxa-4-azatetracyclo[8.6.1.01,12.06,17]heptadeca-6(17),7,9,15-tetraen-14-yl] N-naphthalen-1-ylcarbamate
SMILESCN1CC[C@@]23C=C[C@H](OC(=O)Nc4cccc5ccccc45)C[C@@H]2Oc2c(O)ccc(c23)C1
InChIInChI=1S/C27H26N2O4/c1-29-14-13-27-12-11-19(15-23(27)33-25-22(30)10-9-18(16-29)24(25)27)32-26(31)28-21-8-4-6-17-5-2-3-7-20(17)21/h2-12,19,23,30H,13-16H2,1H3,(H,28,31)/t19-,23-,27-/m0/s1
InChIKeyKREYVWIVBXVXMU-UHORWHLBSA-N
MW442.52 g/mol
LogP4.96
Rot. Bonds2

About [(1S,12S,14R)-9-hydroxy-4-methyl-11-oxa-4-azatetracyclo[8.6.1.01,12.06,17]heptadeca-6(17),7,9,15-tetraen-14-yl] N-naphthalen-1-ylcarbamate

[(1S,12S,14R)-9-hydroxy-4-methyl-11-oxa-4-azatetracyclo[8.6.1.01,12.06,17]heptadeca-6(17),7,9,15-tetraen-14-yl] N-naphthalen-1-ylcarbamate (PubChem CID 10203755) has the molecular formula C27H26N2O4 and a molecular weight of 442.52 g/mol. Its IUPAC name is [(1S,12S,14R)-9-hydroxy-4-methyl-11-oxa-4-azatetracyclo[8.6.1.01,12.06,17]heptadeca-6(17),7,9,15-tetraen-14-yl] N-naphthalen-1-ylcarbamate.

Molecular Properties

Compound Name[(1S,12S,14R)-9-hydroxy-4-methyl-11-oxa-4-azatetracyclo[8.6.1.01,12.06,17]heptadeca-6(17),7,9,15-tetraen-14-yl] N-naphthalen-1-ylcarbamate
PubChem CID10203755
Molecular FormulaC27H26N2O4
Molecular Weight442.52 g/mol
Exact Mass442.19
IUPAC Name[(1S,12S,14R)-9-hydroxy-4-methyl-11-oxa-4-azatetracyclo[8.6.1.01,12.06,17]heptadeca-6(17),7,9,15-tetraen-14-yl] N-naphthalen-1-ylcarbamate
SMILESCN1CC[C@@]23C=C[C@H](OC(=O)Nc4cccc5ccccc45)C[C@@H]2Oc2c(O)ccc(c23)C1
InChIInChI=1S/C27H26N2O4/c1-29-14-13-27-12-11-19(15-23(27)33-25-22(30)10-9-18(16-29)24(25)27)32-26(31)28-21-8-4-6-17-5-2-3-7-20(17)21/h2-12,19,23,30H,13-16H2,1H3,(H,28,31)/t19-,23-,27-/m0/s1
InChIKeyKREYVWIVBXVXMU-UHORWHLBSA-N
XLogP4.96
TPSA71.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.52
LogP ≤ 54.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [(1S,12S,14R)-9-hydroxy-4-methyl-11-oxa-4-azatetracyclo[8.6.1.01,12.06,17]heptadeca-6(17),7,9,15-tetraen-14-yl] N-naphthalen-1-ylcarbamate 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

[(1S,12S,14R)-4-ethyl-9-hydroxy-11-oxa-4-azatetracyclo[8.6.1.01,12.06,17]heptadeca-6(17),7,9,15-tetraen-14-yl] N,N-diethylcarbamate
CID 10200175
(1S,12S,14R)-14-hydroxy-9-methoxy-N-naphthalen-1-yl-11-oxa-4-azatetracyclo[8.6.1.01,12.06,17]heptadeca-6(17),7,9,15-tetraene-4-carboxamide
CID 58783255
2-[(1S,12S,14R)-14-hydroxy-9-methoxy-11-oxa-4-azatetracyclo[8.6.1.01,12.06,17]heptadeca-6(17),7,9,15-tetraen-4-yl]-N-naphthalen-1-ylacetamide
CID 139970717
1-O-[(4-iodophenyl)methyl] 5-O-[(1S,12R,14S)-9-methoxy-4-(naphthalen-1-ylcarbamoyl)-11-oxa-4-azatetracyclo[8.6.1.01,12.06,17]heptadeca-6(17),7,9,15-tetraen-14-yl] pentanedioate
CID 71215750
N-[(2R)-1-[[(1S,12S,14R)-9-methoxy-4-methyl-11-oxa-4-azatetracyclo[8.6.1.01,12.06,17]heptadeca-6(17),7,9,15-tetraen-14-yl]oxy]-3-methyl-1-oxobutan-2-yl]-methylboronamidic acid
CID 58235497
(2S)-7-[[(1S,12S,14R)-9-methoxy-4-methyl-11-oxa-4-azatetracyclo[8.6.1.01,12.06,17]heptadeca-6(17),7,9,15-tetraen-14-yl]oxy]-4,7-dioxo-2-propan-2-ylheptanoic acid
CID 58235459
[(1S,12S,14R)-9-methoxy-4-methyl-11-oxa-4-azatetracyclo[8.6.1.01,12.06,17]heptadeca-6(17),7,9,15-tetraen-14-yl] (1R,4R)-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxylate
CID 71317036
(1S,13S,15R)-4-methyl-12-oxa-4-azatetracyclo[9.6.1.01,13.07,18]octadeca-7(18),8,10,16-tetraene-10,15-diol
CID 53230673
[(1R,12S,14R)-9-methoxy-4-methyl-11-oxa-4-azatetracyclo[8.6.1.01,12.06,17]heptadeca-6(17),7,9,15-tetraen-14-yl] sulfite
CID 59825485
(2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[[(1S,12S,14R)-9-methoxy-4-methyl-11-oxa-4-azatetracyclo[8.6.1.01,12.06,17]heptadeca-6(17),7,9,15-tetraen-14-yl]oxy]oxane-2-carboxylic acid
CID 58966774
[(1R,14S)-9-methoxy-4-methyl-11-oxa-4-azatetracyclo[8.6.1.01,12.06,17]heptadeca-6(17),7,9,15-tetraen-14-yl] N-[(E)-3-[[3-[2-(dimethylamino)ethyl]-1H-indol-4-yl]oxy]prop-1-enyl]carbamate
CID 166123901
9-methoxy-4-methyl-11-oxa-4-azatetracyclo[8.6.1.01,12.06,17]heptadeca-6(17),7,9,15-tetraen-14-ol
CID 3449

Frequently Asked Questions

What is the IUPAC name of [(1S,12S,14R)-9-hydroxy-4-methyl-11-oxa-4-azatetracyclo[8.6.1.01,12.06,17]heptadeca-6(17),7,9,15-tetraen-14-yl] N-naphthalen-1-ylcarbamate?
The IUPAC name of [(1S,12S,14R)-9-hydroxy-4-methyl-11-oxa-4-azatetracyclo[8.6.1.01,12.06,17]heptadeca-6(17),7,9,15-tetraen-14-yl] N-naphthalen-1-ylcarbamate (CID 10203755) is [(1S,12S,14R)-9-hydroxy-4-methyl-11-oxa-4-azatetracyclo[8.6.1.01,12.06,17]heptadeca-6(17),7,9,15-tetraen-14-yl] N-naphthalen-1-ylcarbamate.
What is the SMILES notation for [(1S,12S,14R)-9-hydroxy-4-methyl-11-oxa-4-azatetracyclo[8.6.1.01,12.06,17]heptadeca-6(17),7,9,15-tetraen-14-yl] N-naphthalen-1-ylcarbamate?
The canonical SMILES for [(1S,12S,14R)-9-hydroxy-4-methyl-11-oxa-4-azatetracyclo[8.6.1.01,12.06,17]heptadeca-6(17),7,9,15-tetraen-14-yl] N-naphthalen-1-ylcarbamate is CN1CC[C@@]23C=C[C@H](OC(=O)Nc4cccc5ccccc45)C[C@@H]2Oc2c(O)ccc(c23)C1.
What is the InChIKey of [(1S,12S,14R)-9-hydroxy-4-methyl-11-oxa-4-azatetracyclo[8.6.1.01,12.06,17]heptadeca-6(17),7,9,15-tetraen-14-yl] N-naphthalen-1-ylcarbamate?
The InChIKey is KREYVWIVBXVXMU-UHORWHLBSA-N. The full InChI is InChI=1S/C27H26N2O4/c1-29-14-13-27-12-11-19(15-23(27)33-25-22(30)10-9-18(16-29)24(25)27)32-26(31)28-21-8-4-6-17-5-2-3-7-20(17)21/h2-12,19,23,30H,13-16H2,1H3,(H,28,31)/t19-,23-,27-/m0/s1.
What are the key properties of [(1S,12S,14R)-9-hydroxy-4-methyl-11-oxa-4-azatetracyclo[8.6.1.01,12.06,17]heptadeca-6(17),7,9,15-tetraen-14-yl] N-naphthalen-1-ylcarbamate?
[(1S,12S,14R)-9-hydroxy-4-methyl-11-oxa-4-azatetracyclo[8.6.1.01,12.06,17]heptadeca-6(17),7,9,15-tetraen-14-yl] N-naphthalen-1-ylcarbamate has a molecular weight of 442.52 g/mol, XLogP of 4.96, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,12S,14R)-9-hydroxy-4-methyl-11-oxa-4-azatetracyclo[8.6.1.01,12.06,17]heptadeca-6(17),7,9,15-tetraen-14-yl] N-naphthalen-1-ylcarbamate is sourced from PubChem (CID 10203755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).