N-[4-(ethylamino)-2-oxochromen-3-yl]acetamide

C13H14N2O3 — CID 3586418

IUPACN-[4-(ethylamino)-2-oxochromen-3-yl]acetamide
SMILESCCNc1c(NC(C)=O)c(=O)oc2ccccc12
InChIInChI=1S/C13H14N2O3/c1-3-14-11-9-6-4-5-7-10(9)18-13(17)12(11)15-8(2)16/h4-7,14H,3H2,1-2H3,(H,15,16)
InChIKeyWLQYLVNLRCKQKU-UHFFFAOYSA-N
MW246.27 g/mol
LogP2.18
Rot. Bonds3

About N-[4-(ethylamino)-2-oxochromen-3-yl]acetamide

N-[4-(ethylamino)-2-oxochromen-3-yl]acetamide (PubChem CID 3586418) has the molecular formula C13H14N2O3 and a molecular weight of 246.27 g/mol. Its IUPAC name is N-[4-(ethylamino)-2-oxochromen-3-yl]acetamide.

Molecular Properties

Compound NameN-[4-(ethylamino)-2-oxochromen-3-yl]acetamide
PubChem CID3586418
Molecular FormulaC13H14N2O3
Molecular Weight246.27 g/mol
Exact Mass246.10
IUPAC NameN-[4-(ethylamino)-2-oxochromen-3-yl]acetamide
SMILESCCNc1c(NC(C)=O)c(=O)oc2ccccc12
InChIInChI=1S/C13H14N2O3/c1-3-14-11-9-6-4-5-7-10(9)18-13(17)12(11)15-8(2)16/h4-7,14H,3H2,1-2H3,(H,15,16)
InChIKeyWLQYLVNLRCKQKU-UHFFFAOYSA-N
XLogP2.18
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[4-(ethylamino)-2-oxochromen-3-yl]acetamide?
The IUPAC name of N-[4-(ethylamino)-2-oxochromen-3-yl]acetamide (CID 3586418) is N-[4-(ethylamino)-2-oxochromen-3-yl]acetamide.
What is the SMILES notation for N-[4-(ethylamino)-2-oxochromen-3-yl]acetamide?
The canonical SMILES for N-[4-(ethylamino)-2-oxochromen-3-yl]acetamide is CCNc1c(NC(C)=O)c(=O)oc2ccccc12.
What is the InChIKey of N-[4-(ethylamino)-2-oxochromen-3-yl]acetamide?
The InChIKey is WLQYLVNLRCKQKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3/c1-3-14-11-9-6-4-5-7-10(9)18-13(17)12(11)15-8(2)16/h4-7,14H,3H2,1-2H3,(H,15,16).
What are the key properties of N-[4-(ethylamino)-2-oxochromen-3-yl]acetamide?
N-[4-(ethylamino)-2-oxochromen-3-yl]acetamide has a molecular weight of 246.27 g/mol, XLogP of 2.18, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(ethylamino)-2-oxochromen-3-yl]acetamide is sourced from PubChem (CID 3586418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).