N-ethyl-2-oxo-N-[[(2R)-oxolan-2-yl]methyl]chromene-3-carboxamide

C17H19NO4 — CID 94489620

IUPACN-ethyl-2-oxo-N-[[(2R)-oxolan-2-yl]methyl]chromene-3-carboxamide
SMILESCCN(C[C@H]1CCCO1)C(=O)c1cc2ccccc2oc1=O
InChIInChI=1S/C17H19NO4/c1-2-18(11-13-7-5-9-21-13)16(19)14-10-12-6-3-4-8-15(12)22-17(14)20/h3-4,6,8,10,13H,2,5,7,9,11H2,1H3/t13-/m1/s1
InChIKeySBXBWIBAZOWWIA-CYBMUJFWSA-N
MW301.34 g/mol
LogP2.43
Rot. Bonds4

About N-ethyl-2-oxo-N-[[(2R)-oxolan-2-yl]methyl]chromene-3-carboxamide

N-ethyl-2-oxo-N-[[(2R)-oxolan-2-yl]methyl]chromene-3-carboxamide (PubChem CID 94489620) has the molecular formula C17H19NO4 and a molecular weight of 301.34 g/mol. Its IUPAC name is N-ethyl-2-oxo-N-[[(2R)-oxolan-2-yl]methyl]chromene-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-2-oxo-N-[[(2R)-oxolan-2-yl]methyl]chromene-3-carboxamide
PubChem CID94489620
Molecular FormulaC17H19NO4
Molecular Weight301.34 g/mol
Exact Mass301.13
IUPAC NameN-ethyl-2-oxo-N-[[(2R)-oxolan-2-yl]methyl]chromene-3-carboxamide
SMILESCCN(C[C@H]1CCCO1)C(=O)c1cc2ccccc2oc1=O
InChIInChI=1S/C17H19NO4/c1-2-18(11-13-7-5-9-21-13)16(19)14-10-12-6-3-4-8-15(12)22-17(14)20/h3-4,6,8,10,13H,2,5,7,9,11H2,1H3/t13-/m1/s1
InChIKeySBXBWIBAZOWWIA-CYBMUJFWSA-N
XLogP2.43
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.34
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-ethylphenyl)methyl]-2-oxo-N-[[(2S)-oxolan-2-yl]methyl]chromene-3-carboxamide
CID 6557652
N-[(2-fluorophenyl)methyl]-2-oxo-N-(oxolan-2-ylmethyl)chromene-3-carboxamide
CID 3221325
N-[(3-methoxyphenyl)methyl]-2-oxo-N-[[(2R)-oxolan-2-yl]methyl]chromene-3-carboxamide
CID 1157396
2-oxo-N-(oxolan-2-ylmethyl)-N-(pyridin-3-ylmethyl)chromene-3-carboxamide
CID 71890174
N-[(2,3-dimethoxyphenyl)methyl]-2-oxo-N-[[(2S)-oxolan-2-yl]methyl]chromene-3-carboxamide
CID 1433078
N-[(3-methoxy-4-prop-2-enoxyphenyl)methyl]-2-oxo-N-(oxolan-2-ylmethyl)chromene-3-carboxamide
CID 24678704
N-(cyclobutylmethyl)-N-[[(2R)-oxolan-2-yl]methyl]-1-benzofuran-2-carboxamide
CID 95225190
3-[ethyl-(2-oxochromene-3-carbonyl)amino]propanoic acid
CID 61008302
N-ethyl-2-nitro-N-(oxolan-2-ylmethyl)benzamide
CID 3350667
N-(azetidin-3-yl)-N-ethyl-2-oxochromene-3-carboxamide
CID 66182545
N-methyl-2-oxo-N-(pyrrolidin-2-ylmethyl)chromene-3-carboxamide
CID 106607568
2-amino-N-ethyl-3-fluoro-N-(oxolan-2-ylmethyl)benzamide
CID 62660157

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-oxo-N-[[(2R)-oxolan-2-yl]methyl]chromene-3-carboxamide?
The IUPAC name of N-ethyl-2-oxo-N-[[(2R)-oxolan-2-yl]methyl]chromene-3-carboxamide (CID 94489620) is N-ethyl-2-oxo-N-[[(2R)-oxolan-2-yl]methyl]chromene-3-carboxamide.
What is the SMILES notation for N-ethyl-2-oxo-N-[[(2R)-oxolan-2-yl]methyl]chromene-3-carboxamide?
The canonical SMILES for N-ethyl-2-oxo-N-[[(2R)-oxolan-2-yl]methyl]chromene-3-carboxamide is CCN(C[C@H]1CCCO1)C(=O)c1cc2ccccc2oc1=O.
What is the InChIKey of N-ethyl-2-oxo-N-[[(2R)-oxolan-2-yl]methyl]chromene-3-carboxamide?
The InChIKey is SBXBWIBAZOWWIA-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H19NO4/c1-2-18(11-13-7-5-9-21-13)16(19)14-10-12-6-3-4-8-15(12)22-17(14)20/h3-4,6,8,10,13H,2,5,7,9,11H2,1H3/t13-/m1/s1.
What are the key properties of N-ethyl-2-oxo-N-[[(2R)-oxolan-2-yl]methyl]chromene-3-carboxamide?
N-ethyl-2-oxo-N-[[(2R)-oxolan-2-yl]methyl]chromene-3-carboxamide has a molecular weight of 301.34 g/mol, XLogP of 2.43, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-oxo-N-[[(2R)-oxolan-2-yl]methyl]chromene-3-carboxamide is sourced from PubChem (CID 94489620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).