N-[1-(5-methylfuran-2-yl)ethyl]-2-(2-oxochromen-7-yl)oxyacetamide

C18H17NO5 — CID 46510251

IUPACN-[1-(5-methylfuran-2-yl)ethyl]-2-(2-oxochromen-7-yl)oxyacetamide
SMILESCc1ccc(C(C)NC(=O)COc2ccc3ccc(=O)oc3c2)o1
InChIInChI=1S/C18H17NO5/c1-11-3-7-15(23-11)12(2)19-17(20)10-22-14-6-4-13-5-8-18(21)24-16(13)9-14/h3-9,12H,10H2,1-2H3,(H,19,20)
InChIKeyVNPNASRNLBZPEO-UHFFFAOYSA-N
MW327.34 g/mol
LogP2.95
Rot. Bonds5

About N-[1-(5-methylfuran-2-yl)ethyl]-2-(2-oxochromen-7-yl)oxyacetamide

N-[1-(5-methylfuran-2-yl)ethyl]-2-(2-oxochromen-7-yl)oxyacetamide (PubChem CID 46510251) has the molecular formula C18H17NO5 and a molecular weight of 327.34 g/mol. Its IUPAC name is N-[1-(5-methylfuran-2-yl)ethyl]-2-(2-oxochromen-7-yl)oxyacetamide.

Molecular Properties

Compound NameN-[1-(5-methylfuran-2-yl)ethyl]-2-(2-oxochromen-7-yl)oxyacetamide
PubChem CID46510251
Molecular FormulaC18H17NO5
Molecular Weight327.34 g/mol
Exact Mass327.11
IUPAC NameN-[1-(5-methylfuran-2-yl)ethyl]-2-(2-oxochromen-7-yl)oxyacetamide
SMILESCc1ccc(C(C)NC(=O)COc2ccc3ccc(=O)oc3c2)o1
InChIInChI=1S/C18H17NO5/c1-11-3-7-15(23-11)12(2)19-17(20)10-22-14-6-4-13-5-8-18(21)24-16(13)9-14/h3-9,12H,10H2,1-2H3,(H,19,20)
InChIKeyVNPNASRNLBZPEO-UHFFFAOYSA-N
XLogP2.95
TPSA81.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.34
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[1-(5-methylfuran-2-yl)ethyl]-2-(2-oxochromen-7-yl)oxyacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(1R)-1-(furan-2-yl)ethyl]-2-(2-oxochromen-7-yl)oxyacetamide
CID 8882715
N-[1-(5-methylfuran-2-yl)ethyl]-2-naphthalen-2-yloxyacetamide
CID 51187811
N-[(2S)-butan-2-yl]-2-(2-oxochromen-7-yl)oxyacetamide
CID 2705066
N-[(1R)-1-(2-chlorophenyl)ethyl]-2-(2-oxochromen-7-yl)oxyacetamide
CID 7565223
methyl (2S)-4-methyl-2-[[2-(2-oxochromen-7-yl)oxyacetyl]amino]pentanoate
CID 8882388
N-benzhydryl-2-(2-oxochromen-7-yl)oxyacetamide
CID 2128769
N-[1-(1H-benzimidazol-2-yl)ethyl]-2-(2-oxochromen-7-yl)oxyacetamide
CID 78806700
N-(3-amino-2-methylpropyl)-2-(2-oxochromen-7-yl)oxyacetamide
CID 119996034
2-(2-oxochromen-7-yl)oxy-N-(2,4,4-trimethylpentan-2-yl)acetamide
CID 8882835
(3S)-3-(3,4-dimethoxyphenyl)-3-[[2-(2-oxochromen-7-yl)oxyacetyl]amino]propanoic acid
CID 40854125
ethyl 2-(2-oxochromen-7-yl)oxyacetate;hydrochloride
CID 88715232
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-(2-oxochromen-7-yl)oxyacetamide
CID 119526601

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-methylfuran-2-yl)ethyl]-2-(2-oxochromen-7-yl)oxyacetamide?
The IUPAC name of N-[1-(5-methylfuran-2-yl)ethyl]-2-(2-oxochromen-7-yl)oxyacetamide (CID 46510251) is N-[1-(5-methylfuran-2-yl)ethyl]-2-(2-oxochromen-7-yl)oxyacetamide.
What is the SMILES notation for N-[1-(5-methylfuran-2-yl)ethyl]-2-(2-oxochromen-7-yl)oxyacetamide?
The canonical SMILES for N-[1-(5-methylfuran-2-yl)ethyl]-2-(2-oxochromen-7-yl)oxyacetamide is Cc1ccc(C(C)NC(=O)COc2ccc3ccc(=O)oc3c2)o1.
What is the InChIKey of N-[1-(5-methylfuran-2-yl)ethyl]-2-(2-oxochromen-7-yl)oxyacetamide?
The InChIKey is VNPNASRNLBZPEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO5/c1-11-3-7-15(23-11)12(2)19-17(20)10-22-14-6-4-13-5-8-18(21)24-16(13)9-14/h3-9,12H,10H2,1-2H3,(H,19,20).
What are the key properties of N-[1-(5-methylfuran-2-yl)ethyl]-2-(2-oxochromen-7-yl)oxyacetamide?
N-[1-(5-methylfuran-2-yl)ethyl]-2-(2-oxochromen-7-yl)oxyacetamide has a molecular weight of 327.34 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-methylfuran-2-yl)ethyl]-2-(2-oxochromen-7-yl)oxyacetamide is sourced from PubChem (CID 46510251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).