N-(2,2-dimethylpropyl)-2-oxochromene-3-carboxamide

C15H17NO3 — CID 110473782

IUPACN-(2,2-dimethylpropyl)-2-oxochromene-3-carboxamide
SMILESCC(C)(C)CNC(=O)c1cc2ccccc2oc1=O
InChIInChI=1S/C15H17NO3/c1-15(2,3)9-16-13(17)11-8-10-6-4-5-7-12(10)19-14(11)18/h4-8H,9H2,1-3H3,(H,16,17)
InChIKeyLPJYNCLWGFYHHB-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.57
Rot. Bonds2

About N-(2,2-dimethylpropyl)-2-oxochromene-3-carboxamide

N-(2,2-dimethylpropyl)-2-oxochromene-3-carboxamide (PubChem CID 110473782) has the molecular formula C15H17NO3 and a molecular weight of 259.31 g/mol. Its IUPAC name is N-(2,2-dimethylpropyl)-2-oxochromene-3-carboxamide.

Molecular Properties

Compound NameN-(2,2-dimethylpropyl)-2-oxochromene-3-carboxamide
PubChem CID110473782
Molecular FormulaC15H17NO3
Molecular Weight259.31 g/mol
Exact Mass259.12
IUPAC NameN-(2,2-dimethylpropyl)-2-oxochromene-3-carboxamide
SMILESCC(C)(C)CNC(=O)c1cc2ccccc2oc1=O
InChIInChI=1S/C15H17NO3/c1-15(2,3)9-16-13(17)11-8-10-6-4-5-7-12(10)19-14(11)18/h4-8H,9H2,1-3H3,(H,16,17)
InChIKeyLPJYNCLWGFYHHB-UHFFFAOYSA-N
XLogP2.57
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.57
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-(2-hydroxy-2-methyl-4-phenylbutyl)-2-oxochromene-3-carboxamide
CID 90498518
N-[(2S)-2-hydroxy-2-methyl-4-methylsulfanylbutyl]-2-oxochromene-3-carboxamide
CID 95984367
N-tert-butyl-2-oxochromene-3-carboxamide
CID 2798381
2-oxo-N-pent-3-ynylchromene-3-carboxamide
CID 115977302
2-oxo-N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]chromene-3-carboxamide
CID 56742375
N-carbamoyl-2-oxochromene-3-carboxamide
CID 849924
N-[3-(dimethylamino)-3-oxopropyl]-2-oxochromene-3-carboxamide
CID 91954791
methyl N-(2-oxochromene-3-carbonyl)carbamate
CID 901757
N-(2,2-dimethylpropyl)-3-hydroxynaphthalene-2-carboxamide
CID 61166883
[2-[2-[(2-oxochromene-3-carbonyl)amino]ethylcarbamoyl]phenyl] acetate
CID 6612133
2-oxo-N-[(E)-4-phenylbut-3-enyl]chromene-3-carboxamide
CID 110667582
N-[2-(2-hydroxypropylamino)ethyl]-2-oxochromene-3-carboxamide
CID 104593757

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylpropyl)-2-oxochromene-3-carboxamide?
The IUPAC name of N-(2,2-dimethylpropyl)-2-oxochromene-3-carboxamide (CID 110473782) is N-(2,2-dimethylpropyl)-2-oxochromene-3-carboxamide.
What is the SMILES notation for N-(2,2-dimethylpropyl)-2-oxochromene-3-carboxamide?
The canonical SMILES for N-(2,2-dimethylpropyl)-2-oxochromene-3-carboxamide is CC(C)(C)CNC(=O)c1cc2ccccc2oc1=O.
What is the InChIKey of N-(2,2-dimethylpropyl)-2-oxochromene-3-carboxamide?
The InChIKey is LPJYNCLWGFYHHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3/c1-15(2,3)9-16-13(17)11-8-10-6-4-5-7-12(10)19-14(11)18/h4-8H,9H2,1-3H3,(H,16,17).
What are the key properties of N-(2,2-dimethylpropyl)-2-oxochromene-3-carboxamide?
N-(2,2-dimethylpropyl)-2-oxochromene-3-carboxamide has a molecular weight of 259.31 g/mol, XLogP of 2.57, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylpropyl)-2-oxochromene-3-carboxamide is sourced from PubChem (CID 110473782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).