N-methoxy-21-methyl-11-oxo-3,10-diazadecacyclo[24.7.1.02,10.04,9.012,33.014,31.017,30.020,29.023,28.027,32]tetratriaconta-1(33),2,4,6,8,12,14(31),15,17,19,21,23(28),24,26(34),27(32),29-hexadecaene-19-carboxamide

C35H19N3O3 — CID 89276265

IUPACN-methoxy-21-methyl-11-oxo-3,10-diazadecacyclo[24.7.1.02,10.04,9.012,33.014,31.017,30.020,29.023,28.027,32]tetratriaconta-1(33),2,4,6,8,12,14(31),15,17,19,21,23(28),24,26(34),27(32),29-hexadecaene-19-carboxamide
SMILESCONC(=O)c1cc2ccc3cc4c(=O)n5c6ccccc6nc5c5cc6ccc7cc(C)c1c1c2c3c(c45)c6c71
InChIInChI=1S/C35H19N3O3/c1-15-11-16-7-8-17-12-20-30-22(35(40)38-24-6-4-3-5-23(24)36-33(20)38)14-19-10-9-18-13-21(34(39)37-41-2)25(15)31-26(16)28(17)32(30)29(19)27(18)31/h3-14H,1-2H3,(H,37,39)
InChIKeyGRWVDXFYWWUNTG-UHFFFAOYSA-N
MW529.56 g/mol
LogP7.27
Rot. Bonds2

About N-methoxy-21-methyl-11-oxo-3,10-diazadecacyclo[24.7.1.02,10.04,9.012,33.014,31.017,30.020,29.023,28.027,32]tetratriaconta-1(33),2,4,6,8,12,14(31),15,17,19,21,23(28),24,26(34),27(32),29-hexadecaene-19-carboxamide

N-methoxy-21-methyl-11-oxo-3,10-diazadecacyclo[24.7.1.02,10.04,9.012,33.014,31.017,30.020,29.023,28.027,32]tetratriaconta-1(33),2,4,6,8,12,14(31),15,17,19,21,23(28),24,26(34),27(32),29-hexadecaene-19-carboxamide (PubChem CID 89276265) has the molecular formula C35H19N3O3 and a molecular weight of 529.56 g/mol. Its IUPAC name is N-methoxy-21-methyl-11-oxo-3,10-diazadecacyclo[24.7.1.02,10.04,9.012,33.014,31.017,30.020,29.023,28.027,32]tetratriaconta-1(33),2,4,6,8,12,14(31),15,17,19,21,23(28),24,26(34),27(32),29-hexadecaene-19-carboxamide.

Molecular Properties

Compound NameN-methoxy-21-methyl-11-oxo-3,10-diazadecacyclo[24.7.1.02,10.04,9.012,33.014,31.017,30.020,29.023,28.027,32]tetratriaconta-1(33),2,4,6,8,12,14(31),15,17,19,21,23(28),24,26(34),27(32),29-hexadecaene-19-carboxamide
PubChem CID89276265
Molecular FormulaC35H19N3O3
Molecular Weight529.56 g/mol
Exact Mass529.14
IUPAC NameN-methoxy-21-methyl-11-oxo-3,10-diazadecacyclo[24.7.1.02,10.04,9.012,33.014,31.017,30.020,29.023,28.027,32]tetratriaconta-1(33),2,4,6,8,12,14(31),15,17,19,21,23(28),24,26(34),27(32),29-hexadecaene-19-carboxamide
SMILESCONC(=O)c1cc2ccc3cc4c(=O)n5c6ccccc6nc5c5cc6ccc7cc(C)c1c1c2c3c(c45)c6c71
InChIInChI=1S/C35H19N3O3/c1-15-11-16-7-8-17-12-20-30-22(35(40)38-24-6-4-3-5-23(24)36-33(20)38)14-19-10-9-18-13-21(34(39)37-41-2)25(15)31-26(16)28(17)32(30)29(19)27(18)31/h3-14H,1-2H3,(H,37,39)
InChIKeyGRWVDXFYWWUNTG-UHFFFAOYSA-N
XLogP7.27
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500529.56
LogP ≤ 57.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze N-methoxy-21-methyl-11-oxo-3,10-diazadecacyclo[24.7.1.02,10.04,9.012,33.014,31.017,30.020,29.023,28.027,32]tetratriaconta-1(33),2,4,6,8,12,14(31),15,17,19,21,23(28),24,26(34),27(32),29-hexadecaene-19-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-methoxy-21-methyl-11-oxo-3,10-diazadecacyclo[24.7.1.02,10.04,9.012,33.014,31.017,30.020,29.023,28.027,32]tetratriaconta-1(33),2,4,6,8,12,14(31),15,17,19,21,23(28),24,26(34),27(32),29-hexadecaene-19-carboxamide?
The IUPAC name of N-methoxy-21-methyl-11-oxo-3,10-diazadecacyclo[24.7.1.02,10.04,9.012,33.014,31.017,30.020,29.023,28.027,32]tetratriaconta-1(33),2,4,6,8,12,14(31),15,17,19,21,23(28),24,26(34),27(32),29-hexadecaene-19-carboxamide (CID 89276265) is N-methoxy-21-methyl-11-oxo-3,10-diazadecacyclo[24.7.1.02,10.04,9.012,33.014,31.017,30.020,29.023,28.027,32]tetratriaconta-1(33),2,4,6,8,12,14(31),15,17,19,21,23(28),24,26(34),27(32),29-hexadecaene-19-carboxamide.
What is the SMILES notation for N-methoxy-21-methyl-11-oxo-3,10-diazadecacyclo[24.7.1.02,10.04,9.012,33.014,31.017,30.020,29.023,28.027,32]tetratriaconta-1(33),2,4,6,8,12,14(31),15,17,19,21,23(28),24,26(34),27(32),29-hexadecaene-19-carboxamide?
The canonical SMILES for N-methoxy-21-methyl-11-oxo-3,10-diazadecacyclo[24.7.1.02,10.04,9.012,33.014,31.017,30.020,29.023,28.027,32]tetratriaconta-1(33),2,4,6,8,12,14(31),15,17,19,21,23(28),24,26(34),27(32),29-hexadecaene-19-carboxamide is CONC(=O)c1cc2ccc3cc4c(=O)n5c6ccccc6nc5c5cc6ccc7cc(C)c1c1c2c3c(c45)c6c71.
What is the InChIKey of N-methoxy-21-methyl-11-oxo-3,10-diazadecacyclo[24.7.1.02,10.04,9.012,33.014,31.017,30.020,29.023,28.027,32]tetratriaconta-1(33),2,4,6,8,12,14(31),15,17,19,21,23(28),24,26(34),27(32),29-hexadecaene-19-carboxamide?
The InChIKey is GRWVDXFYWWUNTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H19N3O3/c1-15-11-16-7-8-17-12-20-30-22(35(40)38-24-6-4-3-5-23(24)36-33(20)38)14-19-10-9-18-13-21(34(39)37-41-2)25(15)31-26(16)28(17)32(30)29(19)27(18)31/h3-14H,1-2H3,(H,37,39).
What are the key properties of N-methoxy-21-methyl-11-oxo-3,10-diazadecacyclo[24.7.1.02,10.04,9.012,33.014,31.017,30.020,29.023,28.027,32]tetratriaconta-1(33),2,4,6,8,12,14(31),15,17,19,21,23(28),24,26(34),27(32),29-hexadecaene-19-carboxamide?
N-methoxy-21-methyl-11-oxo-3,10-diazadecacyclo[24.7.1.02,10.04,9.012,33.014,31.017,30.020,29.023,28.027,32]tetratriaconta-1(33),2,4,6,8,12,14(31),15,17,19,21,23(28),24,26(34),27(32),29-hexadecaene-19-carboxamide has a molecular weight of 529.56 g/mol, XLogP of 7.27, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-21-methyl-11-oxo-3,10-diazadecacyclo[24.7.1.02,10.04,9.012,33.014,31.017,30.020,29.023,28.027,32]tetratriaconta-1(33),2,4,6,8,12,14(31),15,17,19,21,23(28),24,26(34),27(32),29-hexadecaene-19-carboxamide is sourced from PubChem (CID 89276265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).