N-cyclopropyl-2-[(7-methoxy-2-oxochromen-4-yl)methyl-methylamino]acetamide

C17H20N2O4 — CID 9053292

IUPACN-cyclopropyl-2-[(7-methoxy-2-oxochromen-4-yl)methyl-methylamino]acetamide
SMILESCOc1ccc2c(CN(C)CC(=O)NC3CC3)cc(=O)oc2c1
InChIInChI=1S/C17H20N2O4/c1-19(10-16(20)18-12-3-4-12)9-11-7-17(21)23-15-8-13(22-2)5-6-14(11)15/h5-8,12H,3-4,9-10H2,1-2H3,(H,18,20)
InChIKeyCGUPJVDWCBEPCD-UHFFFAOYSA-N
MW316.36 g/mol
LogP1.51
Rot. Bonds6

About N-cyclopropyl-2-[(7-methoxy-2-oxochromen-4-yl)methyl-methylamino]acetamide

N-cyclopropyl-2-[(7-methoxy-2-oxochromen-4-yl)methyl-methylamino]acetamide (PubChem CID 9053292) has the molecular formula C17H20N2O4 and a molecular weight of 316.36 g/mol. Its IUPAC name is N-cyclopropyl-2-[(7-methoxy-2-oxochromen-4-yl)methyl-methylamino]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[(7-methoxy-2-oxochromen-4-yl)methyl-methylamino]acetamide
PubChem CID9053292
Molecular FormulaC17H20N2O4
Molecular Weight316.36 g/mol
Exact Mass316.14
IUPAC NameN-cyclopropyl-2-[(7-methoxy-2-oxochromen-4-yl)methyl-methylamino]acetamide
SMILESCOc1ccc2c(CN(C)CC(=O)NC3CC3)cc(=O)oc2c1
InChIInChI=1S/C17H20N2O4/c1-19(10-16(20)18-12-3-4-12)9-11-7-17(21)23-15-8-13(22-2)5-6-14(11)15/h5-8,12H,3-4,9-10H2,1-2H3,(H,18,20)
InChIKeyCGUPJVDWCBEPCD-UHFFFAOYSA-N
XLogP1.51
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 51.51
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

N-(4-fluorophenyl)-2-[(7-methoxy-2-oxochromen-4-yl)methyl-methylamino]acetamide
CID 9252835
N-(2-ethylphenyl)-2-[(7-methoxy-2-oxochromen-4-yl)methyl-methylamino]acetamide
CID 9303635
N-cyclopropyl-2-[methyl-[(3-oxobenzo[f]chromen-1-yl)methyl]amino]acetamide
CID 9053294
(2S)-N-cyclopentyl-3-hydroxy-2-[[2-(7-methoxy-2-oxochromen-4-yl)acetyl]amino]propanamide
CID 6723110
7-methoxy-4-[[(3-methoxyphenyl)methyl-methylamino]methyl]chromen-2-one
CID 2690617
7-methoxy-4-[[(6-methoxynaphthalen-2-yl)methyl-methylamino]methyl]chromen-2-one
CID 9054180
N-ethyl-2-[ethyl-[(7-methoxy-2-oxochromen-4-yl)methyl]amino]acetamide
CID 9433203
2-[ethyl-[(7-methoxy-2-oxochromen-4-yl)methyl]amino]-N-propan-2-ylacetamide
CID 8906572
7-methoxy-4-[[methyl(2-phenylethyl)amino]methyl]chromen-2-one
CID 11151459
N-cyclopropyl-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 2571495
N-cycloheptyl-2-(6-methoxy-1-benzofuran-3-yl)acetamide
CID 2477196
4-(iodomethyl)-7-methoxychromen-2-one
CID 129188629

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[(7-methoxy-2-oxochromen-4-yl)methyl-methylamino]acetamide?
The IUPAC name of N-cyclopropyl-2-[(7-methoxy-2-oxochromen-4-yl)methyl-methylamino]acetamide (CID 9053292) is N-cyclopropyl-2-[(7-methoxy-2-oxochromen-4-yl)methyl-methylamino]acetamide.
What is the SMILES notation for N-cyclopropyl-2-[(7-methoxy-2-oxochromen-4-yl)methyl-methylamino]acetamide?
The canonical SMILES for N-cyclopropyl-2-[(7-methoxy-2-oxochromen-4-yl)methyl-methylamino]acetamide is COc1ccc2c(CN(C)CC(=O)NC3CC3)cc(=O)oc2c1.
What is the InChIKey of N-cyclopropyl-2-[(7-methoxy-2-oxochromen-4-yl)methyl-methylamino]acetamide?
The InChIKey is CGUPJVDWCBEPCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4/c1-19(10-16(20)18-12-3-4-12)9-11-7-17(21)23-15-8-13(22-2)5-6-14(11)15/h5-8,12H,3-4,9-10H2,1-2H3,(H,18,20).
What are the key properties of N-cyclopropyl-2-[(7-methoxy-2-oxochromen-4-yl)methyl-methylamino]acetamide?
N-cyclopropyl-2-[(7-methoxy-2-oxochromen-4-yl)methyl-methylamino]acetamide has a molecular weight of 316.36 g/mol, XLogP of 1.51, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[(7-methoxy-2-oxochromen-4-yl)methyl-methylamino]acetamide is sourced from PubChem (CID 9053292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).