N-[2-(dimethylamino)ethyl]-2-oxochromene-3-carboxamide

C14H16N2O3 — CID 899019

IUPACN-[2-(dimethylamino)ethyl]-2-oxochromene-3-carboxamide
SMILESCN(C)CCNC(=O)c1cc2ccccc2oc1=O
InChIInChI=1S/C14H16N2O3/c1-16(2)8-7-15-13(17)11-9-10-5-3-4-6-12(10)19-14(11)18/h3-6,9H,7-8H2,1-2H3,(H,15,17)
InChIKeyISZMBNDDWQZMTM-UHFFFAOYSA-N
MW260.29 g/mol
LogP1.08
Rot. Bonds4

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

N-[2-(dimethylamino)ethyl]-2-oxochromene-3-carboxamide (PubChem CID 899019) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-2-oxochromene-3-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-2-oxochromene-3-carboxamide
PubChem CID899019
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC NameN-[2-(dimethylamino)ethyl]-2-oxochromene-3-carboxamide
SMILESCN(C)CCNC(=O)c1cc2ccccc2oc1=O
InChIInChI=1S/C14H16N2O3/c1-16(2)8-7-15-13(17)11-9-10-5-3-4-6-12(10)19-14(11)18/h3-6,9H,7-8H2,1-2H3,(H,15,17)
InChIKeyISZMBNDDWQZMTM-UHFFFAOYSA-N
XLogP1.08
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 51.08
H-Bond Donors ≤ 51
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-[2-(dimethylamino)ethyl]-2-oxochromene-3-carboxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-2-oxochromene-3-carboxamide (CID 899019) is N-[2-(dimethylamino)ethyl]-2-oxochromene-3-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-2-oxochromene-3-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-2-oxochromene-3-carboxamide is CN(C)CCNC(=O)c1cc2ccccc2oc1=O.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-2-oxochromene-3-carboxamide?
The InChIKey is ISZMBNDDWQZMTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-16(2)8-7-15-13(17)11-9-10-5-3-4-6-12(10)19-14(11)18/h3-6,9H,7-8H2,1-2H3,(H,15,17).
What are the key properties of N-[2-(dimethylamino)ethyl]-2-oxochromene-3-carboxamide?
N-[2-(dimethylamino)ethyl]-2-oxochromene-3-carboxamide has a molecular weight of 260.29 g/mol, XLogP of 1.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-2-oxochromene-3-carboxamide is sourced from PubChem (CID 899019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).