[formyl(methyl)amino]methyl naphthalene-2-carboxylate

C14H13NO3 — CID 71741120

IUPAC[formyl(methyl)amino]methyl naphthalene-2-carboxylate
SMILESCN(C=O)COC(=O)c1ccc2ccccc2c1
InChIInChI=1S/C14H13NO3/c1-15(9-16)10-18-14(17)13-7-6-11-4-2-3-5-12(11)8-13/h2-9H,10H2,1H3
InChIKeyUQIAKYLEZLHGSC-UHFFFAOYSA-N
MW243.26 g/mol
LogP2.04
Rot. Bonds4

About [formyl(methyl)amino]methyl naphthalene-2-carboxylate

[formyl(methyl)amino]methyl naphthalene-2-carboxylate (PubChem CID 71741120) has the molecular formula C14H13NO3 and a molecular weight of 243.26 g/mol. Its IUPAC name is [formyl(methyl)amino]methyl naphthalene-2-carboxylate.

Molecular Properties

Compound Name[formyl(methyl)amino]methyl naphthalene-2-carboxylate
PubChem CID71741120
Molecular FormulaC14H13NO3
Molecular Weight243.26 g/mol
Exact Mass243.09
IUPAC Name[formyl(methyl)amino]methyl naphthalene-2-carboxylate
SMILESCN(C=O)COC(=O)c1ccc2ccccc2c1
InChIInChI=1S/C14H13NO3/c1-15(9-16)10-18-14(17)13-7-6-11-4-2-3-5-12(11)8-13/h2-9H,10H2,1H3
InChIKeyUQIAKYLEZLHGSC-UHFFFAOYSA-N
XLogP2.04
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-(N-methylanilino)ethyl naphthalene-2-carboxylate
CID 70658913
[2-[[2-(dimethylamino)-2-oxoethyl]amino]-2-oxoethyl] naphthalene-2-carboxylate
CID 9018443
[4-(naphthalene-2-carbonyloxymethyl)cyclohexyl]methyl naphthalene-2-carboxylate
CID 59172646
ethane;methyl naphthalene-2-carboxylate
CID 143895262
[2-[[4-(dimethylamino)phenyl]methyl-methylamino]-2-oxoethyl] naphthalene-2-carboxylate
CID 9018372
2-methylbutyl naphthalene-2-carboxylate
CID 21339899
propanoyl naphthalene-2-carboxylate
CID 118192395
2-propylpentyl naphthalene-2-carboxylate
CID 146351385
[2-(N-ethylanilino)-2-oxoethyl] naphthalene-2-carboxylate
CID 2507754
[2-(tert-butylamino)-2-oxoethyl] naphthalene-2-carboxylate
CID 2507385
bis(naphthalene-2-carboxylate);nickel(2+)
CID 14647680
potassium naphthalene-2-carboxylate
CID 23664129

Frequently Asked Questions

What is the IUPAC name of [formyl(methyl)amino]methyl naphthalene-2-carboxylate?
The IUPAC name of [formyl(methyl)amino]methyl naphthalene-2-carboxylate (CID 71741120) is [formyl(methyl)amino]methyl naphthalene-2-carboxylate.
What is the SMILES notation for [formyl(methyl)amino]methyl naphthalene-2-carboxylate?
The canonical SMILES for [formyl(methyl)amino]methyl naphthalene-2-carboxylate is CN(C=O)COC(=O)c1ccc2ccccc2c1.
What is the InChIKey of [formyl(methyl)amino]methyl naphthalene-2-carboxylate?
The InChIKey is UQIAKYLEZLHGSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO3/c1-15(9-16)10-18-14(17)13-7-6-11-4-2-3-5-12(11)8-13/h2-9H,10H2,1H3.
What are the key properties of [formyl(methyl)amino]methyl naphthalene-2-carboxylate?
[formyl(methyl)amino]methyl naphthalene-2-carboxylate has a molecular weight of 243.26 g/mol, XLogP of 2.04, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [formyl(methyl)amino]methyl naphthalene-2-carboxylate is sourced from PubChem (CID 71741120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).