[methyl(naphthalene-2-carbonyl)amino] acetate

C14H13NO3 — CID 59280990

IUPAC[methyl(naphthalene-2-carbonyl)amino] acetate
SMILESCC(=O)ON(C)C(=O)c1ccc2ccccc2c1
InChIInChI=1S/C14H13NO3/c1-10(16)18-15(2)14(17)13-8-7-11-5-3-4-6-12(11)9-13/h3-9H,1-2H3
InChIKeyBROJTSVSCAGLHR-UHFFFAOYSA-N
MW243.26 g/mol
LogP2.39
Rot. Bonds1

About [methyl(naphthalene-2-carbonyl)amino] acetate

[methyl(naphthalene-2-carbonyl)amino] acetate (PubChem CID 59280990) has the molecular formula C14H13NO3 and a molecular weight of 243.26 g/mol. Its IUPAC name is [methyl(naphthalene-2-carbonyl)amino] acetate.

Molecular Properties

Compound Name[methyl(naphthalene-2-carbonyl)amino] acetate
PubChem CID59280990
Molecular FormulaC14H13NO3
Molecular Weight243.26 g/mol
Exact Mass243.09
IUPAC Name[methyl(naphthalene-2-carbonyl)amino] acetate
SMILESCC(=O)ON(C)C(=O)c1ccc2ccccc2c1
InChIInChI=1S/C14H13NO3/c1-10(16)18-15(2)14(17)13-8-7-11-5-3-4-6-12(11)9-13/h3-9H,1-2H3
InChIKeyBROJTSVSCAGLHR-UHFFFAOYSA-N
XLogP2.39
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-methyl-N-naphthalen-2-ylnaphthalene-2-carboxamide
CID 26904267
N-tert-butyl-N-methylnaphthalene-2-carboxamide
CID 90337297
N,N-bis(4-methoxyphenyl)naphthalene-2-carboxamide
CID 129035097
N-(2-hydroxyethyl)-N-methylnaphthalene-2-carboxamide
CID 39949841
4-[methyl(naphthalene-2-carbonyl)amino]benzoic acid
CID 44726898
N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methylnaphthalene-2-carboxamide
CID 43595828
N-(2-amino-3-methoxypropyl)-N-methylnaphthalene-2-carboxamide
CID 63754922
(1-naphthalen-2-ylethylideneamino) acetate
CID 54130886
N-(3-amino-2-methylpropyl)-N-methylnaphthalene-2-carboxamide
CID 54992388
1-naphthalen-2-yl-2-[4-(2-naphthalen-2-yl-2-oxoacetyl)phenyl]ethane-1,2-dione
CID 10939145
dinaphthalen-2-ylmethanone
CID 10945915
N-(2-cyanopropyl)-N-methylnaphthalene-2-carboxamide
CID 47205391

Frequently Asked Questions

What is the IUPAC name of [methyl(naphthalene-2-carbonyl)amino] acetate?
The IUPAC name of [methyl(naphthalene-2-carbonyl)amino] acetate (CID 59280990) is [methyl(naphthalene-2-carbonyl)amino] acetate.
What is the SMILES notation for [methyl(naphthalene-2-carbonyl)amino] acetate?
The canonical SMILES for [methyl(naphthalene-2-carbonyl)amino] acetate is CC(=O)ON(C)C(=O)c1ccc2ccccc2c1.
What is the InChIKey of [methyl(naphthalene-2-carbonyl)amino] acetate?
The InChIKey is BROJTSVSCAGLHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO3/c1-10(16)18-15(2)14(17)13-8-7-11-5-3-4-6-12(11)9-13/h3-9H,1-2H3.
What are the key properties of [methyl(naphthalene-2-carbonyl)amino] acetate?
[methyl(naphthalene-2-carbonyl)amino] acetate has a molecular weight of 243.26 g/mol, XLogP of 2.39, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [methyl(naphthalene-2-carbonyl)amino] acetate is sourced from PubChem (CID 59280990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).