N-[4-[[acetyl(methyl)amino]methyl]phenyl]-7-methoxy-2-oxo-8-propan-2-yloxychromene-3-carboxamide

C24H26N2O6 — CID 87679955

IUPACN-[4-[[acetyl(methyl)amino]methyl]phenyl]-7-methoxy-2-oxo-8-propan-2-yloxychromene-3-carboxamide
SMILESCOc1ccc2cc(C(=O)Nc3ccc(CN(C)C(C)=O)cc3)c(=O)oc2c1OC(C)C
InChIInChI=1S/C24H26N2O6/c1-14(2)31-22-20(30-5)11-8-17-12-19(24(29)32-21(17)22)23(28)25-18-9-6-16(7-10-18)13-26(4)15(3)27/h6-12,14H,13H2,1-5H3,(H,25,28)
InChIKeyOEFMXRRDZUDKSZ-UHFFFAOYSA-N
MW438.48 g/mol
LogP3.82
Rot. Bonds7

About N-[4-[[acetyl(methyl)amino]methyl]phenyl]-7-methoxy-2-oxo-8-propan-2-yloxychromene-3-carboxamide

N-[4-[[acetyl(methyl)amino]methyl]phenyl]-7-methoxy-2-oxo-8-propan-2-yloxychromene-3-carboxamide (PubChem CID 87679955) has the molecular formula C24H26N2O6 and a molecular weight of 438.48 g/mol. Its IUPAC name is N-[4-[[acetyl(methyl)amino]methyl]phenyl]-7-methoxy-2-oxo-8-propan-2-yloxychromene-3-carboxamide.

Molecular Properties

Compound NameN-[4-[[acetyl(methyl)amino]methyl]phenyl]-7-methoxy-2-oxo-8-propan-2-yloxychromene-3-carboxamide
PubChem CID87679955
Molecular FormulaC24H26N2O6
Molecular Weight438.48 g/mol
Exact Mass438.18
IUPAC NameN-[4-[[acetyl(methyl)amino]methyl]phenyl]-7-methoxy-2-oxo-8-propan-2-yloxychromene-3-carboxamide
SMILESCOc1ccc2cc(C(=O)Nc3ccc(CN(C)C(C)=O)cc3)c(=O)oc2c1OC(C)C
InChIInChI=1S/C24H26N2O6/c1-14(2)31-22-20(30-5)11-8-17-12-19(24(29)32-21(17)22)23(28)25-18-9-6-16(7-10-18)13-26(4)15(3)27/h6-12,14H,13H2,1-5H3,(H,25,28)
InChIKeyOEFMXRRDZUDKSZ-UHFFFAOYSA-N
XLogP3.82
TPSA98.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.48
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

8-butan-2-yloxy-N-[4-[(2-hydroxyethylamino)methyl]phenyl]-7-methoxy-2-oxochromene-3-carboxamide
CID 87600047
N-[4-(2-amino-1-hydroxyethyl)phenyl]-8-ethoxy-7-methoxy-2-oxochromene-3-carboxamide
CID 87589006
N-[4-(2-aminopropan-2-yl)phenyl]-7-methoxy-8-(2-methylpropoxy)-2-oxochromene-3-carboxamide
CID 87589481
7-methoxy-N-(2-methyl-4-sulfamoylphenyl)-2-oxo-8-propan-2-yloxychromene-3-carboxamide
CID 52931843
N-[4-(hydroxymethyl)phenyl]-7-methoxy-2-oxo-8-propylchromene-3-carboxamide
CID 52932181
7-methoxy-N-[4-(1-nitrosoethyl)phenyl]-2-oxo-8-propylchromene-3-carboxamide
CID 90787276
N-[4-(2-amino-1-hydroxyethyl)phenyl]-7-methoxy-2-oxo-8-propylchromene-3-carboxamide
CID 87590541
N-[4-[[ethyl(methyl)amino]methyl]phenyl]-7-(2-fluoroethoxy)-2-oxo-8-propylchromene-3-carboxamide
CID 87590649
N-[4-(N-hydroxy-C-methylcarbonimidoyl)phenyl]-7-methoxy-2-oxo-8-propylchromene-3-carboxamide
CID 173114860
N-[4-(2-aminopropan-2-yl)phenyl]-7-methoxy-2-oxo-8-prop-2-enylchromene-3-carboxamide
CID 87690725
N-[4-(1-acetamidocyclopropyl)phenyl]-8-ethyl-7-methoxy-2-oxochromene-3-carboxamide
CID 87589718
N-[4-[(1S,2S)-2-amino-3-hydroxy-1-methoxypropyl]phenyl]-8-ethyl-7-methoxy-2-oxochromene-3-carboxamide
CID 87589202

Frequently Asked Questions

What is the IUPAC name of N-[4-[[acetyl(methyl)amino]methyl]phenyl]-7-methoxy-2-oxo-8-propan-2-yloxychromene-3-carboxamide?
The IUPAC name of N-[4-[[acetyl(methyl)amino]methyl]phenyl]-7-methoxy-2-oxo-8-propan-2-yloxychromene-3-carboxamide (CID 87679955) is N-[4-[[acetyl(methyl)amino]methyl]phenyl]-7-methoxy-2-oxo-8-propan-2-yloxychromene-3-carboxamide.
What is the SMILES notation for N-[4-[[acetyl(methyl)amino]methyl]phenyl]-7-methoxy-2-oxo-8-propan-2-yloxychromene-3-carboxamide?
The canonical SMILES for N-[4-[[acetyl(methyl)amino]methyl]phenyl]-7-methoxy-2-oxo-8-propan-2-yloxychromene-3-carboxamide is COc1ccc2cc(C(=O)Nc3ccc(CN(C)C(C)=O)cc3)c(=O)oc2c1OC(C)C.
What is the InChIKey of N-[4-[[acetyl(methyl)amino]methyl]phenyl]-7-methoxy-2-oxo-8-propan-2-yloxychromene-3-carboxamide?
The InChIKey is OEFMXRRDZUDKSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O6/c1-14(2)31-22-20(30-5)11-8-17-12-19(24(29)32-21(17)22)23(28)25-18-9-6-16(7-10-18)13-26(4)15(3)27/h6-12,14H,13H2,1-5H3,(H,25,28).
What are the key properties of N-[4-[[acetyl(methyl)amino]methyl]phenyl]-7-methoxy-2-oxo-8-propan-2-yloxychromene-3-carboxamide?
N-[4-[[acetyl(methyl)amino]methyl]phenyl]-7-methoxy-2-oxo-8-propan-2-yloxychromene-3-carboxamide has a molecular weight of 438.48 g/mol, XLogP of 3.82, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[acetyl(methyl)amino]methyl]phenyl]-7-methoxy-2-oxo-8-propan-2-yloxychromene-3-carboxamide is sourced from PubChem (CID 87679955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).