N-(1-hydroxy-4-methylpentan-2-yl)-8-methoxy-2-oxo-10-oxa-1-azatricyclo[7.6.1.05,16]hexadeca-3,5(16),6,8-tetraene-3-carboxamide

C22H30N2O5 — CID 142970074

IUPACN-(1-hydroxy-4-methylpentan-2-yl)-8-methoxy-2-oxo-10-oxa-1-azatricyclo[7.6.1.05,16]hexadeca-3,5(16),6,8-tetraene-3-carboxamide
SMILESCOc1ccc2cc(C(=O)NC(CO)CC(C)C)c(=O)n3c2c1OCCCCC3
InChIInChI=1S/C22H30N2O5/c1-14(2)11-16(13-25)23-21(26)17-12-15-7-8-18(28-3)20-19(15)24(22(17)27)9-5-4-6-10-29-20/h7-8,12,14,16,25H,4-6,9-11,13H2,1-3H3,(H,23,26)
InChIKeyXCVPFSPZKFIBQL-UHFFFAOYSA-N
MW402.49 g/mol
LogP2.71
Rot. Bonds6

About N-(1-hydroxy-4-methylpentan-2-yl)-8-methoxy-2-oxo-10-oxa-1-azatricyclo[7.6.1.05,16]hexadeca-3,5(16),6,8-tetraene-3-carboxamide

N-(1-hydroxy-4-methylpentan-2-yl)-8-methoxy-2-oxo-10-oxa-1-azatricyclo[7.6.1.05,16]hexadeca-3,5(16),6,8-tetraene-3-carboxamide (PubChem CID 142970074) has the molecular formula C22H30N2O5 and a molecular weight of 402.49 g/mol. Its IUPAC name is N-(1-hydroxy-4-methylpentan-2-yl)-8-methoxy-2-oxo-10-oxa-1-azatricyclo[7.6.1.05,16]hexadeca-3,5(16),6,8-tetraene-3-carboxamide.

Molecular Properties

Compound NameN-(1-hydroxy-4-methylpentan-2-yl)-8-methoxy-2-oxo-10-oxa-1-azatricyclo[7.6.1.05,16]hexadeca-3,5(16),6,8-tetraene-3-carboxamide
PubChem CID142970074
Molecular FormulaC22H30N2O5
Molecular Weight402.49 g/mol
Exact Mass402.22
IUPAC NameN-(1-hydroxy-4-methylpentan-2-yl)-8-methoxy-2-oxo-10-oxa-1-azatricyclo[7.6.1.05,16]hexadeca-3,5(16),6,8-tetraene-3-carboxamide
SMILESCOc1ccc2cc(C(=O)NC(CO)CC(C)C)c(=O)n3c2c1OCCCCC3
InChIInChI=1S/C22H30N2O5/c1-14(2)11-16(13-25)23-21(26)17-12-15-7-8-18(28-3)20-19(15)24(22(17)27)9-5-4-6-10-29-20/h7-8,12,14,16,25H,4-6,9-11,13H2,1-3H3,(H,23,26)
InChIKeyXCVPFSPZKFIBQL-UHFFFAOYSA-N
XLogP2.71
TPSA89.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.49
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-4-methylpentan-2-yl)-8-methoxy-2-oxo-10-oxa-1-azatricyclo[7.6.1.05,16]hexadeca-3,5(16),6,8-tetraene-3-carboxamide?
The IUPAC name of N-(1-hydroxy-4-methylpentan-2-yl)-8-methoxy-2-oxo-10-oxa-1-azatricyclo[7.6.1.05,16]hexadeca-3,5(16),6,8-tetraene-3-carboxamide (CID 142970074) is N-(1-hydroxy-4-methylpentan-2-yl)-8-methoxy-2-oxo-10-oxa-1-azatricyclo[7.6.1.05,16]hexadeca-3,5(16),6,8-tetraene-3-carboxamide.
What is the SMILES notation for N-(1-hydroxy-4-methylpentan-2-yl)-8-methoxy-2-oxo-10-oxa-1-azatricyclo[7.6.1.05,16]hexadeca-3,5(16),6,8-tetraene-3-carboxamide?
The canonical SMILES for N-(1-hydroxy-4-methylpentan-2-yl)-8-methoxy-2-oxo-10-oxa-1-azatricyclo[7.6.1.05,16]hexadeca-3,5(16),6,8-tetraene-3-carboxamide is COc1ccc2cc(C(=O)NC(CO)CC(C)C)c(=O)n3c2c1OCCCCC3.
What is the InChIKey of N-(1-hydroxy-4-methylpentan-2-yl)-8-methoxy-2-oxo-10-oxa-1-azatricyclo[7.6.1.05,16]hexadeca-3,5(16),6,8-tetraene-3-carboxamide?
The InChIKey is XCVPFSPZKFIBQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O5/c1-14(2)11-16(13-25)23-21(26)17-12-15-7-8-18(28-3)20-19(15)24(22(17)27)9-5-4-6-10-29-20/h7-8,12,14,16,25H,4-6,9-11,13H2,1-3H3,(H,23,26).
What are the key properties of N-(1-hydroxy-4-methylpentan-2-yl)-8-methoxy-2-oxo-10-oxa-1-azatricyclo[7.6.1.05,16]hexadeca-3,5(16),6,8-tetraene-3-carboxamide?
N-(1-hydroxy-4-methylpentan-2-yl)-8-methoxy-2-oxo-10-oxa-1-azatricyclo[7.6.1.05,16]hexadeca-3,5(16),6,8-tetraene-3-carboxamide has a molecular weight of 402.49 g/mol, XLogP of 2.71, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-4-methylpentan-2-yl)-8-methoxy-2-oxo-10-oxa-1-azatricyclo[7.6.1.05,16]hexadeca-3,5(16),6,8-tetraene-3-carboxamide is sourced from PubChem (CID 142970074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).