N'-(3,4-dihydro-2H-chromen-6-ylmethyl)-N'-methyloxamide

C13H16N2O3 — CID 115191993

IUPACN'-(3,4-dihydro-2H-chromen-6-ylmethyl)-N'-methyloxamide
SMILESCN(Cc1ccc2c(c1)CCCO2)C(=O)C(N)=O
InChIInChI=1S/C13H16N2O3/c1-15(13(17)12(14)16)8-9-4-5-11-10(7-9)3-2-6-18-11/h4-5,7H,2-3,6,8H2,1H3,(H2,14,16)
InChIKeyHHDAEEIEBFMUKO-UHFFFAOYSA-N
MW248.28 g/mol
LogP0.46
Rot. Bonds2

About N'-(3,4-dihydro-2H-chromen-6-ylmethyl)-N'-methyloxamide

N'-(3,4-dihydro-2H-chromen-6-ylmethyl)-N'-methyloxamide (PubChem CID 115191993) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is N'-(3,4-dihydro-2H-chromen-6-ylmethyl)-N'-methyloxamide.

Molecular Properties

Compound NameN'-(3,4-dihydro-2H-chromen-6-ylmethyl)-N'-methyloxamide
PubChem CID115191993
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC NameN'-(3,4-dihydro-2H-chromen-6-ylmethyl)-N'-methyloxamide
SMILESCN(Cc1ccc2c(c1)CCCO2)C(=O)C(N)=O
InChIInChI=1S/C13H16N2O3/c1-15(13(17)12(14)16)8-9-4-5-11-10(7-9)3-2-6-18-11/h4-5,7H,2-3,6,8H2,1H3,(H2,14,16)
InChIKeyHHDAEEIEBFMUKO-UHFFFAOYSA-N
XLogP0.46
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N'-(3,4-dihydro-2H-chromen-6-ylmethyl)-N'-methyloxamide 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

2-amino-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-methylacetamide
CID 115151665
3-[2,3-dihydro-1-benzofuran-5-ylmethyl(methyl)amino]-3-oxopropanoic acid
CID 115163484
2-chloro-N-(3,4-dihydro-2H-chromen-6-ylmethyl)-N-methylethanamine
CID 115214963
4-amino-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-methylpentanamide
CID 115156754
N'-(3,4-dihydro-2H-chromen-6-ylmethyl)-N'-methylbutane-1,4-diamine
CID 115201324
3-[2,3-dihydro-1-benzofuran-5-ylmethyl(methyl)amino]-2-methyl-3-oxopropanoic acid
CID 115164320
1-[3,4-dihydro-2H-chromen-6-ylmethyl(methyl)amino]-2-methylpropan-2-ol
CID 115137029
1-N-(3,4-dihydro-2H-chromen-6-ylmethyl)-1-N,3-dimethylbutane-1,3-diamine
CID 115200729
3-(3,4-dihydro-2H-chromen-6-yl)-N-methylpropanehydrazide
CID 116844990
N'-[(3,4-dichlorophenyl)methyl]-N'-methyloxamide
CID 115192019
[2,3-dihydro-1-benzofuran-5-ylmethyl(methyl)amino]methanol
CID 115229208
2-(3,4-dihydro-2H-chromen-6-yl)ethylurea
CID 115168538

Frequently Asked Questions

What is the IUPAC name of N'-(3,4-dihydro-2H-chromen-6-ylmethyl)-N'-methyloxamide?
The IUPAC name of N'-(3,4-dihydro-2H-chromen-6-ylmethyl)-N'-methyloxamide (CID 115191993) is N'-(3,4-dihydro-2H-chromen-6-ylmethyl)-N'-methyloxamide.
What is the SMILES notation for N'-(3,4-dihydro-2H-chromen-6-ylmethyl)-N'-methyloxamide?
The canonical SMILES for N'-(3,4-dihydro-2H-chromen-6-ylmethyl)-N'-methyloxamide is CN(Cc1ccc2c(c1)CCCO2)C(=O)C(N)=O.
What is the InChIKey of N'-(3,4-dihydro-2H-chromen-6-ylmethyl)-N'-methyloxamide?
The InChIKey is HHDAEEIEBFMUKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c1-15(13(17)12(14)16)8-9-4-5-11-10(7-9)3-2-6-18-11/h4-5,7H,2-3,6,8H2,1H3,(H2,14,16).
What are the key properties of N'-(3,4-dihydro-2H-chromen-6-ylmethyl)-N'-methyloxamide?
N'-(3,4-dihydro-2H-chromen-6-ylmethyl)-N'-methyloxamide has a molecular weight of 248.28 g/mol, XLogP of 0.46, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3,4-dihydro-2H-chromen-6-ylmethyl)-N'-methyloxamide is sourced from PubChem (CID 115191993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).