N-[2-(furan-2-yl)ethyl]-2-oxochromene-3-carboxamide

C16H13NO4 — CID 110745473

IUPACN-[2-(furan-2-yl)ethyl]-2-oxochromene-3-carboxamide
SMILESO=C(NCCc1ccco1)c1cc2ccccc2oc1=O
InChIInChI=1S/C16H13NO4/c18-15(17-8-7-12-5-3-9-20-12)13-10-11-4-1-2-6-14(11)21-16(13)19/h1-6,9-10H,7-8H2,(H,17,18)
InChIKeyYDDWKWSQHMLROS-UHFFFAOYSA-N
MW283.28 g/mol
LogP2.36
Rot. Bonds4

About N-[2-(furan-2-yl)ethyl]-2-oxochromene-3-carboxamide

N-[2-(furan-2-yl)ethyl]-2-oxochromene-3-carboxamide (PubChem CID 110745473) has the molecular formula C16H13NO4 and a molecular weight of 283.28 g/mol. Its IUPAC name is N-[2-(furan-2-yl)ethyl]-2-oxochromene-3-carboxamide.

Molecular Properties

Compound NameN-[2-(furan-2-yl)ethyl]-2-oxochromene-3-carboxamide
PubChem CID110745473
Molecular FormulaC16H13NO4
Molecular Weight283.28 g/mol
Exact Mass283.08
IUPAC NameN-[2-(furan-2-yl)ethyl]-2-oxochromene-3-carboxamide
SMILESO=C(NCCc1ccco1)c1cc2ccccc2oc1=O
InChIInChI=1S/C16H13NO4/c18-15(17-8-7-12-5-3-9-20-12)13-10-11-4-1-2-6-14(11)21-16(13)19/h1-6,9-10H,7-8H2,(H,17,18)
InChIKeyYDDWKWSQHMLROS-UHFFFAOYSA-N
XLogP2.36
TPSA72.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.28
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

S-[2-(furan-2-yl)ethyl] 2-oxochromene-3-carbothioate
CID 155544346
N-[2-(4-fluorophenyl)ethyl]-2-oxochromene-3-carboxamide
CID 1244317
2-oxo-N-pent-3-ynylchromene-3-carboxamide
CID 115977302
3-[(2-oxochromene-3-carbonyl)amino]propyl furan-2-carboxylate
CID 19182205
2-oxo-N-[2-(1,3-thiazol-2-yl)ethyl]chromene-3-carboxamide
CID 49357043
2-oxo-N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]chromene-3-carboxamide
CID 56742375
N-[2-(1-methylpyrrol-3-yl)ethyl]-2-oxochromene-3-carboxamide
CID 110795663
N-[3-(dimethylamino)-3-oxopropyl]-2-oxochromene-3-carboxamide
CID 91954791
N-[2-(2-fluorophenoxy)ethyl]-2-oxochromene-3-carboxamide
CID 18113602
N-(2-naphthalen-1-yloxyethyl)-2-oxochromene-3-carboxamide
CID 19174708
N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-oxochromene-3-carboxamide
CID 110743007
N-(2,2-dimethylpropyl)-2-oxochromene-3-carboxamide
CID 110473782

Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-2-yl)ethyl]-2-oxochromene-3-carboxamide?
The IUPAC name of N-[2-(furan-2-yl)ethyl]-2-oxochromene-3-carboxamide (CID 110745473) is N-[2-(furan-2-yl)ethyl]-2-oxochromene-3-carboxamide.
What is the SMILES notation for N-[2-(furan-2-yl)ethyl]-2-oxochromene-3-carboxamide?
The canonical SMILES for N-[2-(furan-2-yl)ethyl]-2-oxochromene-3-carboxamide is O=C(NCCc1ccco1)c1cc2ccccc2oc1=O.
What is the InChIKey of N-[2-(furan-2-yl)ethyl]-2-oxochromene-3-carboxamide?
The InChIKey is YDDWKWSQHMLROS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO4/c18-15(17-8-7-12-5-3-9-20-12)13-10-11-4-1-2-6-14(11)21-16(13)19/h1-6,9-10H,7-8H2,(H,17,18).
What are the key properties of N-[2-(furan-2-yl)ethyl]-2-oxochromene-3-carboxamide?
N-[2-(furan-2-yl)ethyl]-2-oxochromene-3-carboxamide has a molecular weight of 283.28 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(furan-2-yl)ethyl]-2-oxochromene-3-carboxamide is sourced from PubChem (CID 110745473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).