7-methoxy-4-oxo-N-[2-[4-[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]cyclohexylidene]ethyl]chromene-2-carboxamide

C30H32N2O5 — CID 142942105

IUPAC7-methoxy-4-oxo-N-[2-[4-[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]cyclohexylidene]ethyl]chromene-2-carboxamide
SMILESCOc1ccc2c(=O)cc(C(=O)NCC=C3CCC(c4ccccc4CN4CCCC4=O)CC3)oc2c1
InChIInChI=1S/C30H32N2O5/c1-36-23-12-13-25-26(33)18-28(37-27(25)17-23)30(35)31-15-14-20-8-10-21(11-9-20)24-6-3-2-5-22(24)19-32-16-4-7-29(32)34/h2-3,5-6,12-14,17-18,21H,4,7-11,15-16,19H2,1H3,(H,31,35)/b20-14-
InChIKeyRCBSUGGHTNXXTD-ZHZULCJRSA-N
MW500.60 g/mol
LogP4.94
Rot. Bonds7

About 7-methoxy-4-oxo-N-[2-[4-[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]cyclohexylidene]ethyl]chromene-2-carboxamide

7-methoxy-4-oxo-N-[2-[4-[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]cyclohexylidene]ethyl]chromene-2-carboxamide (PubChem CID 142942105) has the molecular formula C30H32N2O5 and a molecular weight of 500.60 g/mol. Its IUPAC name is 7-methoxy-4-oxo-N-[2-[4-[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]cyclohexylidene]ethyl]chromene-2-carboxamide.

Molecular Properties

Compound Name7-methoxy-4-oxo-N-[2-[4-[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]cyclohexylidene]ethyl]chromene-2-carboxamide
PubChem CID142942105
Molecular FormulaC30H32N2O5
Molecular Weight500.60 g/mol
Exact Mass500.23
IUPAC Name7-methoxy-4-oxo-N-[2-[4-[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]cyclohexylidene]ethyl]chromene-2-carboxamide
SMILESCOc1ccc2c(=O)cc(C(=O)NCC=C3CCC(c4ccccc4CN4CCCC4=O)CC3)oc2c1
InChIInChI=1S/C30H32N2O5/c1-36-23-12-13-25-26(33)18-28(37-27(25)17-23)30(35)31-15-14-20-8-10-21(11-9-20)24-6-3-2-5-22(24)19-32-16-4-7-29(32)34/h2-3,5-6,12-14,17-18,21H,4,7-11,15-16,19H2,1H3,(H,31,35)/b20-14-
InChIKeyRCBSUGGHTNXXTD-ZHZULCJRSA-N
XLogP4.94
TPSA88.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.60
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-chloro-4-methylbenzene;7-methoxy-4-oxo-N-[2-[4-[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]cyclohexylidene]ethyl]chromene-2-carboxamide
CID 142942104
8-fluoro-4-oxo-N-[2-[4-[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]cyclohexylidene]ethyl]chromene-2-carboxamide
CID 142942110
N-[(2S)-3-(4-chlorophenyl)-1-oxo-1-[4-[2-[(2-oxopiperidin-1-yl)methyl]phenyl]piperidin-1-yl]propan-2-yl]-7-methoxy-4-oxochromene-2-carboxamide
CID 58768139
7-hydroxy-4-oxo-N-[2-oxo-2-[4-[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]piperidin-1-yl]ethyl]chromene-2-carboxamide
CID 142942043
6-hydroxy-7-methoxy-4-oxo-N-[2-oxo-2-[4-[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]piperidin-1-yl]ethyl]chromene-2-carboxamide
CID 142942039
N-[(2S)-3-(4-chlorophenyl)-1-oxo-1-[4-[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]piperidin-1-yl]propan-2-yl]-6-methoxy-4-oxochromene-2-carboxamide
CID 58768120
N-[(2R)-1-(4-chlorophenyl)-3-[4-[2-[(2-oxopiperidin-1-yl)methyl]phenyl]cyclohexylidene]propan-2-yl]-7-fluoro-4-oxochromene-2-carboxamide
CID 58917736
6-tert-butyl-4-oxo-N-[2-oxo-2-[4-[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]piperidin-1-yl]ethyl]chromene-2-carboxamide
CID 142941872
6-butoxy-N-[(2S)-1-(4-chlorophenyl)-3-[4-[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]cyclohexylidene]propan-2-yl]-4-oxochromene-2-carboxamide
CID 58917681
N-[(2R)-1-(4-chlorophenyl)-3-[4-[2-[(2-oxopiperidin-1-yl)methyl]phenyl]cyclohexylidene]propan-2-yl]-6,7-dihydroxy-4-oxochromene-2-carboxamide
CID 58917493
N-[(2R)-1-(4-chlorophenyl)-3-[4-[2-[(2-oxopiperidin-1-yl)methyl]phenyl]cyclohexylidene]propan-2-yl]-4-oxo-6-propoxychromene-2-carboxamide
CID 58917573
N-[(2R)-1-(4-chlorophenyl)-3-[4-[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]cyclohexylidene]propan-2-yl]-4-oxo-6-(1,1,2,2,2-pentafluoroethoxy)chromene-2-carboxamide
CID 58917393

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-4-oxo-N-[2-[4-[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]cyclohexylidene]ethyl]chromene-2-carboxamide?
The IUPAC name of 7-methoxy-4-oxo-N-[2-[4-[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]cyclohexylidene]ethyl]chromene-2-carboxamide (CID 142942105) is 7-methoxy-4-oxo-N-[2-[4-[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]cyclohexylidene]ethyl]chromene-2-carboxamide.
What is the SMILES notation for 7-methoxy-4-oxo-N-[2-[4-[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]cyclohexylidene]ethyl]chromene-2-carboxamide?
The canonical SMILES for 7-methoxy-4-oxo-N-[2-[4-[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]cyclohexylidene]ethyl]chromene-2-carboxamide is COc1ccc2c(=O)cc(C(=O)NCC=C3CCC(c4ccccc4CN4CCCC4=O)CC3)oc2c1.
What is the InChIKey of 7-methoxy-4-oxo-N-[2-[4-[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]cyclohexylidene]ethyl]chromene-2-carboxamide?
The InChIKey is RCBSUGGHTNXXTD-ZHZULCJRSA-N. The full InChI is InChI=1S/C30H32N2O5/c1-36-23-12-13-25-26(33)18-28(37-27(25)17-23)30(35)31-15-14-20-8-10-21(11-9-20)24-6-3-2-5-22(24)19-32-16-4-7-29(32)34/h2-3,5-6,12-14,17-18,21H,4,7-11,15-16,19H2,1H3,(H,31,35)/b20-14-.
What are the key properties of 7-methoxy-4-oxo-N-[2-[4-[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]cyclohexylidene]ethyl]chromene-2-carboxamide?
7-methoxy-4-oxo-N-[2-[4-[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]cyclohexylidene]ethyl]chromene-2-carboxamide has a molecular weight of 500.60 g/mol, XLogP of 4.94, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-4-oxo-N-[2-[4-[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]cyclohexylidene]ethyl]chromene-2-carboxamide is sourced from PubChem (CID 142942105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).