N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-(2-oxochromen-7-yl)oxyacetamide

C17H22N2O4 — CID 119655442

IUPACN-(3-amino-2,2-dimethylpropyl)-N-methyl-2-(2-oxochromen-7-yl)oxyacetamide
SMILESCN(CC(C)(C)CN)C(=O)COc1ccc2ccc(=O)oc2c1
InChIInChI=1S/C17H22N2O4/c1-17(2,10-18)11-19(3)15(20)9-22-13-6-4-12-5-7-16(21)23-14(12)8-13/h4-8H,9-11,18H2,1-3H3
InChIKeyIANSUIKGZJKLNJ-UHFFFAOYSA-N
MW318.37 g/mol
LogP1.62
Rot. Bonds6

About N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-(2-oxochromen-7-yl)oxyacetamide

N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-(2-oxochromen-7-yl)oxyacetamide (PubChem CID 119655442) has the molecular formula C17H22N2O4 and a molecular weight of 318.37 g/mol. Its IUPAC name is N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-(2-oxochromen-7-yl)oxyacetamide.

Molecular Properties

Compound NameN-(3-amino-2,2-dimethylpropyl)-N-methyl-2-(2-oxochromen-7-yl)oxyacetamide
PubChem CID119655442
Molecular FormulaC17H22N2O4
Molecular Weight318.37 g/mol
Exact Mass318.16
IUPAC NameN-(3-amino-2,2-dimethylpropyl)-N-methyl-2-(2-oxochromen-7-yl)oxyacetamide
SMILESCN(CC(C)(C)CN)C(=O)COc1ccc2ccc(=O)oc2c1
InChIInChI=1S/C17H22N2O4/c1-17(2,10-18)11-19(3)15(20)9-22-13-6-4-12-5-7-16(21)23-14(12)8-13/h4-8H,9-11,18H2,1-3H3
InChIKeyIANSUIKGZJKLNJ-UHFFFAOYSA-N
XLogP1.62
TPSA85.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 51.62
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-bromophenyl)methyl]-N-methyl-2-(2-oxochromen-7-yl)oxyacetamide
CID 16504643
N-(3-amino-2,2-dimethylpropyl)-2-(4-tert-butylphenoxy)-N-methylacetamide
CID 119656009
ethyl 2-(2-oxochromen-7-yl)oxyacetate;hydrochloride
CID 88715232
N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-(4-propoxyphenoxy)acetamide
CID 119652613
N-cycloheptyl-N-methyl-2-(2-oxochromen-7-yl)oxyacetamide
CID 51287180
N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-phenoxyacetamide;hydrochloride
CID 119652959
N-methyl-2-(2-oxochromen-7-yl)oxy-N-(quinoxalin-2-ylmethyl)acetamide
CID 171387743
N-(3-amino-2,2-dimethylpropyl)-2-(4-ethylphenoxy)-N-methylacetamide;hydrochloride
CID 119652992
4-[[ethyl-[2-(2-oxochromen-7-yl)oxyacetyl]amino]methyl]-N,N-dimethylbenzamide
CID 56511803
7-(2-methylprop-2-enoxy)chromen-2-one
CID 875202
N-(3-amino-2-methylpropyl)-2-(2-oxochromen-7-yl)oxyacetamide
CID 119996034
dimethylazanium;2-(2-oxochromen-7-yl)oxyacetate
CID 139081078

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-(2-oxochromen-7-yl)oxyacetamide?
The IUPAC name of N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-(2-oxochromen-7-yl)oxyacetamide (CID 119655442) is N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-(2-oxochromen-7-yl)oxyacetamide.
What is the SMILES notation for N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-(2-oxochromen-7-yl)oxyacetamide?
The canonical SMILES for N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-(2-oxochromen-7-yl)oxyacetamide is CN(CC(C)(C)CN)C(=O)COc1ccc2ccc(=O)oc2c1.
What is the InChIKey of N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-(2-oxochromen-7-yl)oxyacetamide?
The InChIKey is IANSUIKGZJKLNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O4/c1-17(2,10-18)11-19(3)15(20)9-22-13-6-4-12-5-7-16(21)23-14(12)8-13/h4-8H,9-11,18H2,1-3H3.
What are the key properties of N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-(2-oxochromen-7-yl)oxyacetamide?
N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-(2-oxochromen-7-yl)oxyacetamide has a molecular weight of 318.37 g/mol, XLogP of 1.62, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-(2-oxochromen-7-yl)oxyacetamide is sourced from PubChem (CID 119655442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).