N-(2-methylpropyl)-2-oxochromene-3-carboxamide

C14H15NO3 — CID 823440

IUPACN-(2-methylpropyl)-2-oxochromene-3-carboxamide
SMILESCC(C)CNC(=O)c1cc2ccccc2oc1=O
InChIInChI=1S/C14H15NO3/c1-9(2)8-15-13(16)11-7-10-5-3-4-6-12(10)18-14(11)17/h3-7,9H,8H2,1-2H3,(H,15,16)
InChIKeyBKVFDOZWDVAMFZ-UHFFFAOYSA-N
MW245.28 g/mol
LogP2.18
Rot. Bonds3

About N-(2-methylpropyl)-2-oxochromene-3-carboxamide

N-(2-methylpropyl)-2-oxochromene-3-carboxamide (PubChem CID 823440) has the molecular formula C14H15NO3 and a molecular weight of 245.28 g/mol. Its IUPAC name is N-(2-methylpropyl)-2-oxochromene-3-carboxamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-2-oxochromene-3-carboxamide
PubChem CID823440
Molecular FormulaC14H15NO3
Molecular Weight245.28 g/mol
Exact Mass245.11
IUPAC NameN-(2-methylpropyl)-2-oxochromene-3-carboxamide
SMILESCC(C)CNC(=O)c1cc2ccccc2oc1=O
InChIInChI=1S/C14H15NO3/c1-9(2)8-15-13(16)11-7-10-5-3-4-6-12(10)18-14(11)17/h3-7,9H,8H2,1-2H3,(H,15,16)
InChIKeyBKVFDOZWDVAMFZ-UHFFFAOYSA-N
XLogP2.18
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-2-oxochromene-3-carboxamide?
The IUPAC name of N-(2-methylpropyl)-2-oxochromene-3-carboxamide (CID 823440) is N-(2-methylpropyl)-2-oxochromene-3-carboxamide.
What is the SMILES notation for N-(2-methylpropyl)-2-oxochromene-3-carboxamide?
The canonical SMILES for N-(2-methylpropyl)-2-oxochromene-3-carboxamide is CC(C)CNC(=O)c1cc2ccccc2oc1=O.
What is the InChIKey of N-(2-methylpropyl)-2-oxochromene-3-carboxamide?
The InChIKey is BKVFDOZWDVAMFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3/c1-9(2)8-15-13(16)11-7-10-5-3-4-6-12(10)18-14(11)17/h3-7,9H,8H2,1-2H3,(H,15,16).
What are the key properties of N-(2-methylpropyl)-2-oxochromene-3-carboxamide?
N-(2-methylpropyl)-2-oxochromene-3-carboxamide has a molecular weight of 245.28 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-2-oxochromene-3-carboxamide is sourced from PubChem (CID 823440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).