N-(4-hydroxy-2-methylphenyl)-7-methoxy-2-oxo-8-propylchromene-3-carboxamide

C21H21NO5 — CID 52932448

IUPACN-(4-hydroxy-2-methylphenyl)-7-methoxy-2-oxo-8-propylchromene-3-carboxamide
SMILESCCCc1c(OC)ccc2cc(C(=O)Nc3ccc(O)cc3C)c(=O)oc12
InChIInChI=1S/C21H21NO5/c1-4-5-15-18(26-3)9-6-13-11-16(21(25)27-19(13)15)20(24)22-17-8-7-14(23)10-12(17)2/h6-11,23H,4-5H2,1-3H3,(H,22,24)
InChIKeyCMGHANZFDCUKLR-UHFFFAOYSA-N
MW367.40 g/mol
LogP4.02
Rot. Bonds5

About N-(4-hydroxy-2-methylphenyl)-7-methoxy-2-oxo-8-propylchromene-3-carboxamide

N-(4-hydroxy-2-methylphenyl)-7-methoxy-2-oxo-8-propylchromene-3-carboxamide (PubChem CID 52932448) has the molecular formula C21H21NO5 and a molecular weight of 367.40 g/mol. Its IUPAC name is N-(4-hydroxy-2-methylphenyl)-7-methoxy-2-oxo-8-propylchromene-3-carboxamide.

Molecular Properties

Compound NameN-(4-hydroxy-2-methylphenyl)-7-methoxy-2-oxo-8-propylchromene-3-carboxamide
PubChem CID52932448
Molecular FormulaC21H21NO5
Molecular Weight367.40 g/mol
Exact Mass367.14
IUPAC NameN-(4-hydroxy-2-methylphenyl)-7-methoxy-2-oxo-8-propylchromene-3-carboxamide
SMILESCCCc1c(OC)ccc2cc(C(=O)Nc3ccc(O)cc3C)c(=O)oc12
InChIInChI=1S/C21H21NO5/c1-4-5-15-18(26-3)9-6-13-11-16(21(25)27-19(13)15)20(24)22-17-8-7-14(23)10-12(17)2/h6-11,23H,4-5H2,1-3H3,(H,22,24)
InChIKeyCMGHANZFDCUKLR-UHFFFAOYSA-N
XLogP4.02
TPSA88.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.40
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(methanesulfonamido)-2-methylphenyl]-7-methoxy-2-oxo-8-propylchromene-3-carboxamide
CID 52932243
N-[4-(hydroxymethyl)phenyl]-7-methoxy-2-oxo-8-propylchromene-3-carboxamide
CID 52932181
N-[4-(aminomethyl)-3-methylphenyl]-7-methoxy-2-oxo-8-propylchromene-3-carboxamide
CID 24763189
N-[4-(N-hydroxy-C-methylcarbonimidoyl)phenyl]-7-methoxy-2-oxo-8-propylchromene-3-carboxamide
CID 173114860
N-(2-chloro-5-fluoro-3-pyridinyl)-7-methoxy-2-oxo-8-propylchromene-3-carboxamide
CID 52931728
N-[4-(2-amino-1-hydroxyethyl)phenyl]-7-methoxy-2-oxo-8-propylchromene-3-carboxamide
CID 87590541
7-methoxy-N-[4-(1-nitrosoethyl)phenyl]-2-oxo-8-propylchromene-3-carboxamide
CID 90787276
N-[4-[1-(aminomethyl)cyclopropyl]phenyl]-7-methoxy-2-oxo-8-propylchromene-3-carboxamide
CID 87589261
8-ethoxy-7-methoxy-N-(2-methyl-4-sulfamoylphenyl)-2-oxochromene-3-carboxamide
CID 52931842
N-(4-bromo-2-methylphenyl)-8-methoxy-2-oxochromene-3-carboxamide
CID 9264254
N-[4-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]phenyl]-7-methoxy-2-oxo-8-propylchromene-3-carboxamide
CID 87684672
7-methoxy-N-(2-methyl-4-sulfamoylphenyl)-2-oxo-8-propan-2-yloxychromene-3-carboxamide
CID 52931843

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-2-methylphenyl)-7-methoxy-2-oxo-8-propylchromene-3-carboxamide?
The IUPAC name of N-(4-hydroxy-2-methylphenyl)-7-methoxy-2-oxo-8-propylchromene-3-carboxamide (CID 52932448) is N-(4-hydroxy-2-methylphenyl)-7-methoxy-2-oxo-8-propylchromene-3-carboxamide.
What is the SMILES notation for N-(4-hydroxy-2-methylphenyl)-7-methoxy-2-oxo-8-propylchromene-3-carboxamide?
The canonical SMILES for N-(4-hydroxy-2-methylphenyl)-7-methoxy-2-oxo-8-propylchromene-3-carboxamide is CCCc1c(OC)ccc2cc(C(=O)Nc3ccc(O)cc3C)c(=O)oc12.
What is the InChIKey of N-(4-hydroxy-2-methylphenyl)-7-methoxy-2-oxo-8-propylchromene-3-carboxamide?
The InChIKey is CMGHANZFDCUKLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO5/c1-4-5-15-18(26-3)9-6-13-11-16(21(25)27-19(13)15)20(24)22-17-8-7-14(23)10-12(17)2/h6-11,23H,4-5H2,1-3H3,(H,22,24).
What are the key properties of N-(4-hydroxy-2-methylphenyl)-7-methoxy-2-oxo-8-propylchromene-3-carboxamide?
N-(4-hydroxy-2-methylphenyl)-7-methoxy-2-oxo-8-propylchromene-3-carboxamide has a molecular weight of 367.40 g/mol, XLogP of 4.02, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-2-methylphenyl)-7-methoxy-2-oxo-8-propylchromene-3-carboxamide is sourced from PubChem (CID 52932448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).