N-tert-butyl-2-oxochromene-3-carboxamide

C14H15NO3 — CID 2798381

IUPACN-tert-butyl-2-oxochromene-3-carboxamide
SMILESCC(C)(C)NC(=O)c1cc2ccccc2oc1=O
InChIInChI=1S/C14H15NO3/c1-14(2,3)15-12(16)10-8-9-6-4-5-7-11(9)18-13(10)17/h4-8H,1-3H3,(H,15,16)
InChIKeyWJVGPUXVQPSDBJ-UHFFFAOYSA-N
MW245.28 g/mol
LogP2.32
Rot. Bonds1

About N-tert-butyl-2-oxochromene-3-carboxamide

N-tert-butyl-2-oxochromene-3-carboxamide (PubChem CID 2798381) has the molecular formula C14H15NO3 and a molecular weight of 245.28 g/mol. Its IUPAC name is N-tert-butyl-2-oxochromene-3-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-2-oxochromene-3-carboxamide
PubChem CID2798381
Molecular FormulaC14H15NO3
Molecular Weight245.28 g/mol
Exact Mass245.11
IUPAC NameN-tert-butyl-2-oxochromene-3-carboxamide
SMILESCC(C)(C)NC(=O)c1cc2ccccc2oc1=O
InChIInChI=1S/C14H15NO3/c1-14(2,3)15-12(16)10-8-9-6-4-5-7-11(9)18-13(10)17/h4-8H,1-3H3,(H,15,16)
InChIKeyWJVGPUXVQPSDBJ-UHFFFAOYSA-N
XLogP2.32
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-tert-butyl-6-fluoro-2-oxochromene-3-carboxamide
CID 110486861
N-(2,2-dimethylpropyl)-2-oxochromene-3-carboxamide
CID 110473782
N-tert-butyl-1-benzofuran-2-carboxamide
CID 737735
methyl N-(2-oxochromene-3-carbonyl)carbamate
CID 901757
N-carbamoyl-2-oxochromene-3-carboxamide
CID 849924
2-oxochromene-3-carboxylic acid
CID 161011590
N-[1-(4-hydroxyphenyl)ethyl]-2-oxochromene-3-carboxamide
CID 4917419
N-tert-butyl-2-oxo-7-propoxychromene-3-carboxamide
CID 5263306
[(2-oxochromene-3-carbonyl)amino]thiourea
CID 14494824
3-(4-tert-butylbenzoyl)chromen-2-one
CID 132581750
N-(2,6-difluorophenyl)-2-oxochromene-3-carboxamide
CID 42618006
2-oxo-N-[4-(trifluoromethyl)phenyl]chromene-3-carboxamide
CID 10065394

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-oxochromene-3-carboxamide?
The IUPAC name of N-tert-butyl-2-oxochromene-3-carboxamide (CID 2798381) is N-tert-butyl-2-oxochromene-3-carboxamide.
What is the SMILES notation for N-tert-butyl-2-oxochromene-3-carboxamide?
The canonical SMILES for N-tert-butyl-2-oxochromene-3-carboxamide is CC(C)(C)NC(=O)c1cc2ccccc2oc1=O.
What is the InChIKey of N-tert-butyl-2-oxochromene-3-carboxamide?
The InChIKey is WJVGPUXVQPSDBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3/c1-14(2,3)15-12(16)10-8-9-6-4-5-7-11(9)18-13(10)17/h4-8H,1-3H3,(H,15,16).
What are the key properties of N-tert-butyl-2-oxochromene-3-carboxamide?
N-tert-butyl-2-oxochromene-3-carboxamide has a molecular weight of 245.28 g/mol, XLogP of 2.32, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-oxochromene-3-carboxamide is sourced from PubChem (CID 2798381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).