N,N-dimethyl-3-[[[2-(2-oxochromen-7-yl)oxyacetyl]amino]methyl]benzamide

C21H20N2O5 — CID 46401405

IUPACN,N-dimethyl-3-[[[2-(2-oxochromen-7-yl)oxyacetyl]amino]methyl]benzamide
SMILESCN(C)C(=O)c1cccc(CNC(=O)COc2ccc3ccc(=O)oc3c2)c1
InChIInChI=1S/C21H20N2O5/c1-23(2)21(26)16-5-3-4-14(10-16)12-22-19(24)13-27-17-8-6-15-7-9-20(25)28-18(15)11-17/h3-11H,12-13H2,1-2H3,(H,22,24)
InChIKeyPJDNOYWQUITQGO-UHFFFAOYSA-N
MW380.40 g/mol
LogP2.19
Rot. Bonds6

About N,N-dimethyl-3-[[[2-(2-oxochromen-7-yl)oxyacetyl]amino]methyl]benzamide

N,N-dimethyl-3-[[[2-(2-oxochromen-7-yl)oxyacetyl]amino]methyl]benzamide (PubChem CID 46401405) has the molecular formula C21H20N2O5 and a molecular weight of 380.40 g/mol. Its IUPAC name is N,N-dimethyl-3-[[[2-(2-oxochromen-7-yl)oxyacetyl]amino]methyl]benzamide.

Molecular Properties

Compound NameN,N-dimethyl-3-[[[2-(2-oxochromen-7-yl)oxyacetyl]amino]methyl]benzamide
PubChem CID46401405
Molecular FormulaC21H20N2O5
Molecular Weight380.40 g/mol
Exact Mass380.14
IUPAC NameN,N-dimethyl-3-[[[2-(2-oxochromen-7-yl)oxyacetyl]amino]methyl]benzamide
SMILESCN(C)C(=O)c1cccc(CNC(=O)COc2ccc3ccc(=O)oc3c2)c1
InChIInChI=1S/C21H20N2O5/c1-23(2)21(26)16-5-3-4-14(10-16)12-22-19(24)13-27-17-8-6-15-7-9-20(25)28-18(15)11-17/h3-11H,12-13H2,1-2H3,(H,22,24)
InChIKeyPJDNOYWQUITQGO-UHFFFAOYSA-N
XLogP2.19
TPSA88.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.40
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(2-oxochromen-7-yl)oxy-N-[[4-(phenoxymethyl)phenyl]methyl]acetamide
CID 39503721
N-[(6-methyl-2-pyridinyl)methyl]-2-(2-oxochromen-7-yl)oxyacetamide
CID 87041237
N-[2-(3-chlorophenyl)ethyl]-2-(2-oxochromen-7-yl)oxyacetamide
CID 8882460
N-[3-[[[2-(2-oxochromen-7-yl)oxyacetyl]amino]methyl]phenyl]-2-pyrazol-1-ylacetamide
CID 55954154
4-[[ethyl-[2-(2-oxochromen-7-yl)oxyacetyl]amino]methyl]-N,N-dimethylbenzamide
CID 56511803
2-(2-oxochromen-7-yl)oxy-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]acetamide
CID 36752372
N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]-2-(2-oxochromen-7-yl)oxyacetamide
CID 56524279
N-(3-amino-2-methylpropyl)-2-(2-oxochromen-7-yl)oxyacetamide
CID 119996034
N,N-diethyl-4-[[2-(2-oxochromen-7-yl)oxyacetyl]amino]benzamide
CID 7565046
N-ethyl-N-naphthalen-1-yl-2-(2-oxochromen-7-yl)oxyacetamide
CID 2705109
N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-2-(2-oxochromen-7-yl)oxyacetamide
CID 26117124
N-[(2S)-butan-2-yl]-2-(2-oxochromen-7-yl)oxyacetamide
CID 2705066

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[[[2-(2-oxochromen-7-yl)oxyacetyl]amino]methyl]benzamide?
The IUPAC name of N,N-dimethyl-3-[[[2-(2-oxochromen-7-yl)oxyacetyl]amino]methyl]benzamide (CID 46401405) is N,N-dimethyl-3-[[[2-(2-oxochromen-7-yl)oxyacetyl]amino]methyl]benzamide.
What is the SMILES notation for N,N-dimethyl-3-[[[2-(2-oxochromen-7-yl)oxyacetyl]amino]methyl]benzamide?
The canonical SMILES for N,N-dimethyl-3-[[[2-(2-oxochromen-7-yl)oxyacetyl]amino]methyl]benzamide is CN(C)C(=O)c1cccc(CNC(=O)COc2ccc3ccc(=O)oc3c2)c1.
What is the InChIKey of N,N-dimethyl-3-[[[2-(2-oxochromen-7-yl)oxyacetyl]amino]methyl]benzamide?
The InChIKey is PJDNOYWQUITQGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O5/c1-23(2)21(26)16-5-3-4-14(10-16)12-22-19(24)13-27-17-8-6-15-7-9-20(25)28-18(15)11-17/h3-11H,12-13H2,1-2H3,(H,22,24).
What are the key properties of N,N-dimethyl-3-[[[2-(2-oxochromen-7-yl)oxyacetyl]amino]methyl]benzamide?
N,N-dimethyl-3-[[[2-(2-oxochromen-7-yl)oxyacetyl]amino]methyl]benzamide has a molecular weight of 380.40 g/mol, XLogP of 2.19, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[[[2-(2-oxochromen-7-yl)oxyacetyl]amino]methyl]benzamide is sourced from PubChem (CID 46401405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).