N-(2-naphthalen-1-yloxyethyl)-2-oxochromene-3-carboxamide

C22H17NO4 — CID 19174708

IUPACN-(2-naphthalen-1-yloxyethyl)-2-oxochromene-3-carboxamide
SMILESO=C(NCCOc1cccc2ccccc12)c1cc2ccccc2oc1=O
InChIInChI=1S/C22H17NO4/c24-21(18-14-16-7-2-4-10-19(16)27-22(18)25)23-12-13-26-20-11-5-8-15-6-1-3-9-17(15)20/h1-11,14H,12-13H2,(H,23,24)
InChIKeyFQDNIUSJSVNPIU-UHFFFAOYSA-N
MW359.38 g/mol
LogP3.76
Rot. Bonds5

About N-(2-naphthalen-1-yloxyethyl)-2-oxochromene-3-carboxamide

N-(2-naphthalen-1-yloxyethyl)-2-oxochromene-3-carboxamide (PubChem CID 19174708) has the molecular formula C22H17NO4 and a molecular weight of 359.38 g/mol. Its IUPAC name is N-(2-naphthalen-1-yloxyethyl)-2-oxochromene-3-carboxamide.

Molecular Properties

Compound NameN-(2-naphthalen-1-yloxyethyl)-2-oxochromene-3-carboxamide
PubChem CID19174708
Molecular FormulaC22H17NO4
Molecular Weight359.38 g/mol
Exact Mass359.12
IUPAC NameN-(2-naphthalen-1-yloxyethyl)-2-oxochromene-3-carboxamide
SMILESO=C(NCCOc1cccc2ccccc12)c1cc2ccccc2oc1=O
InChIInChI=1S/C22H17NO4/c24-21(18-14-16-7-2-4-10-19(16)27-22(18)25)23-12-13-26-20-11-5-8-15-6-1-3-9-17(15)20/h1-11,14H,12-13H2,(H,23,24)
InChIKeyFQDNIUSJSVNPIU-UHFFFAOYSA-N
XLogP3.76
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.38
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2-fluorophenoxy)ethyl]-2-oxochromene-3-carboxamide
CID 18113602
N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]-2-oxochromene-3-carboxamide
CID 39285808
[2-[2-[(2-oxochromene-3-carbonyl)amino]ethylcarbamoyl]phenyl] acetate
CID 6612133
2-chloro-N-(2-naphthalen-1-yloxyethyl)benzamide
CID 19174581
3-[(2-oxochromene-3-carbonyl)amino]propyl benzoate
CID 19189384
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
3-[(2-oxochromene-3-carbonyl)amino]propyl 2-(2,4-dibromophenoxy)acetate
CID 19179701
2,4-dichloro-N-(2-naphthalen-1-yloxyethyl)benzamide
CID 19174593
N-[2-(furan-2-yl)ethyl]-2-oxochromene-3-carboxamide
CID 110745473
N-[2-(4-fluorophenyl)ethyl]-2-oxochromene-3-carboxamide
CID 1244317
3-[(2-oxochromene-3-carbonyl)amino]propyl furan-2-carboxylate
CID 19182205

Frequently Asked Questions

What is the IUPAC name of N-(2-naphthalen-1-yloxyethyl)-2-oxochromene-3-carboxamide?
The IUPAC name of N-(2-naphthalen-1-yloxyethyl)-2-oxochromene-3-carboxamide (CID 19174708) is N-(2-naphthalen-1-yloxyethyl)-2-oxochromene-3-carboxamide.
What is the SMILES notation for N-(2-naphthalen-1-yloxyethyl)-2-oxochromene-3-carboxamide?
The canonical SMILES for N-(2-naphthalen-1-yloxyethyl)-2-oxochromene-3-carboxamide is O=C(NCCOc1cccc2ccccc12)c1cc2ccccc2oc1=O.
What is the InChIKey of N-(2-naphthalen-1-yloxyethyl)-2-oxochromene-3-carboxamide?
The InChIKey is FQDNIUSJSVNPIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17NO4/c24-21(18-14-16-7-2-4-10-19(16)27-22(18)25)23-12-13-26-20-11-5-8-15-6-1-3-9-17(15)20/h1-11,14H,12-13H2,(H,23,24).
What are the key properties of N-(2-naphthalen-1-yloxyethyl)-2-oxochromene-3-carboxamide?
N-(2-naphthalen-1-yloxyethyl)-2-oxochromene-3-carboxamide has a molecular weight of 359.38 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-naphthalen-1-yloxyethyl)-2-oxochromene-3-carboxamide is sourced from PubChem (CID 19174708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).