N-[2-[(6,7-dimethyl-2-oxochromen-4-yl)methylamino]ethyl]acetamide

C16H20N2O3 — CID 9262867

IUPACN-[2-[(6,7-dimethyl-2-oxochromen-4-yl)methylamino]ethyl]acetamide
SMILESCC(=O)NCCNCc1cc(=O)oc2cc(C)c(C)cc12
InChIInChI=1S/C16H20N2O3/c1-10-6-14-13(9-17-4-5-18-12(3)19)8-16(20)21-15(14)7-11(10)2/h6-8,17H,4-5,9H2,1-3H3,(H,18,19)
InChIKeyGGCADNAPVMFVTQ-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.64
Rot. Bonds5

About N-[2-[(6,7-dimethyl-2-oxochromen-4-yl)methylamino]ethyl]acetamide

N-[2-[(6,7-dimethyl-2-oxochromen-4-yl)methylamino]ethyl]acetamide (PubChem CID 9262867) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is N-[2-[(6,7-dimethyl-2-oxochromen-4-yl)methylamino]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[(6,7-dimethyl-2-oxochromen-4-yl)methylamino]ethyl]acetamide
PubChem CID9262867
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC NameN-[2-[(6,7-dimethyl-2-oxochromen-4-yl)methylamino]ethyl]acetamide
SMILESCC(=O)NCCNCc1cc(=O)oc2cc(C)c(C)cc12
InChIInChI=1S/C16H20N2O3/c1-10-6-14-13(9-17-4-5-18-12(3)19)8-16(20)21-15(14)7-11(10)2/h6-8,17H,4-5,9H2,1-3H3,(H,18,19)
InChIKeyGGCADNAPVMFVTQ-UHFFFAOYSA-N
XLogP1.64
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[(6-chloro-7-methyl-2-oxochromen-4-yl)methylamino]ethyl]acetamide
CID 9262853
6,7-dimethyl-4-[[(4-methylphenyl)methylamino]methyl]chromen-2-one
CID 9256676
6,7-dimethyl-4-[[2-(4-methylphenoxy)ethylamino]methyl]chromen-2-one
CID 9256827
4-[[2-(4-ethoxyphenoxy)ethylamino]methyl]-6,7-dimethylchromen-2-one
CID 9436672
4-[[3-(3,5-dimethylpyrazol-1-yl)propylamino]methyl]-6,7-dimethylchromen-2-one
CID 9265890
6,7-dimethyl-4-[[[(2S)-2-phenylpropyl]amino]methyl]chromen-2-one
CID 9264108
4-[(4-acetylpiperazin-1-yl)methyl]-6,7-dimethylchromen-2-one
CID 2101263
N-benzyl-2-[(6,7-dimethyl-2-oxochromen-4-yl)methylamino]benzamide
CID 9347720
4-[(2-methoxy-5-methylanilino)methyl]-6,7-dimethylchromen-2-one
CID 9346800
(6,7-dimethyl-2-oxochromen-4-yl)methyl 2-(3,4-dimethylphenyl)acetate
CID 8527160
7-methyl-6-propan-2-yl-4-[(thiophen-2-ylmethylamino)methyl]chromen-2-one
CID 9265816
4-[[[(1S)-1-(furan-2-yl)ethyl]amino]methyl]-6,7-dimethylchromen-2-one
CID 8920388

Frequently Asked Questions

What is the IUPAC name of N-[2-[(6,7-dimethyl-2-oxochromen-4-yl)methylamino]ethyl]acetamide?
The IUPAC name of N-[2-[(6,7-dimethyl-2-oxochromen-4-yl)methylamino]ethyl]acetamide (CID 9262867) is N-[2-[(6,7-dimethyl-2-oxochromen-4-yl)methylamino]ethyl]acetamide.
What is the SMILES notation for N-[2-[(6,7-dimethyl-2-oxochromen-4-yl)methylamino]ethyl]acetamide?
The canonical SMILES for N-[2-[(6,7-dimethyl-2-oxochromen-4-yl)methylamino]ethyl]acetamide is CC(=O)NCCNCc1cc(=O)oc2cc(C)c(C)cc12.
What is the InChIKey of N-[2-[(6,7-dimethyl-2-oxochromen-4-yl)methylamino]ethyl]acetamide?
The InChIKey is GGCADNAPVMFVTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-10-6-14-13(9-17-4-5-18-12(3)19)8-16(20)21-15(14)7-11(10)2/h6-8,17H,4-5,9H2,1-3H3,(H,18,19).
What are the key properties of N-[2-[(6,7-dimethyl-2-oxochromen-4-yl)methylamino]ethyl]acetamide?
N-[2-[(6,7-dimethyl-2-oxochromen-4-yl)methylamino]ethyl]acetamide has a molecular weight of 288.35 g/mol, XLogP of 1.64, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(6,7-dimethyl-2-oxochromen-4-yl)methylamino]ethyl]acetamide is sourced from PubChem (CID 9262867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).