methyl 3-[2-[[(1R)-1-cyclopropylethyl]amino]-2-oxoethoxy]naphthalene-2-carboxylate

C19H21NO4 — CID 51924023

IUPACmethyl 3-[2-[[(1R)-1-cyclopropylethyl]amino]-2-oxoethoxy]naphthalene-2-carboxylate
SMILESCOC(=O)c1cc2ccccc2cc1OCC(=O)N[C@H](C)C1CC1
InChIInChI=1S/C19H21NO4/c1-12(13-7-8-13)20-18(21)11-24-17-10-15-6-4-3-5-14(15)9-16(17)19(22)23-2/h3-6,9-10,12-13H,7-8,11H2,1-2H3,(H,20,21)/t12-/m1/s1
InChIKeyRTTWVIZBYXIAJV-GFCCVEGCSA-N
MW327.38 g/mol
LogP2.92
Rot. Bonds6

About methyl 3-[2-[[(1R)-1-cyclopropylethyl]amino]-2-oxoethoxy]naphthalene-2-carboxylate

methyl 3-[2-[[(1R)-1-cyclopropylethyl]amino]-2-oxoethoxy]naphthalene-2-carboxylate (PubChem CID 51924023) has the molecular formula C19H21NO4 and a molecular weight of 327.38 g/mol. Its IUPAC name is methyl 3-[2-[[(1R)-1-cyclopropylethyl]amino]-2-oxoethoxy]naphthalene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[2-[[(1R)-1-cyclopropylethyl]amino]-2-oxoethoxy]naphthalene-2-carboxylate
PubChem CID51924023
Molecular FormulaC19H21NO4
Molecular Weight327.38 g/mol
Exact Mass327.15
IUPAC Namemethyl 3-[2-[[(1R)-1-cyclopropylethyl]amino]-2-oxoethoxy]naphthalene-2-carboxylate
SMILESCOC(=O)c1cc2ccccc2cc1OCC(=O)N[C@H](C)C1CC1
InChIInChI=1S/C19H21NO4/c1-12(13-7-8-13)20-18(21)11-24-17-10-15-6-4-3-5-14(15)9-16(17)19(22)23-2/h3-6,9-10,12-13H,7-8,11H2,1-2H3,(H,20,21)/t12-/m1/s1
InChIKeyRTTWVIZBYXIAJV-GFCCVEGCSA-N
XLogP2.92
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 3-[2-[[(1R)-1-cyclopropylethyl]amino]-2-oxoethoxy]naphthalene-2-carboxylate with MolForge

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Related Compounds

methyl 2-[2-(1-cyclopropylethylamino)-2-oxoethoxy]-5-methoxybenzoate
CID 47069669
N-[(1S)-1-cyclopropylethyl]-2-naphthalen-1-yloxyacetamide
CID 9014883
methyl 4-[2-[[(1R)-1-cyclopropylethyl]amino]-2-oxoethoxy]benzoate
CID 34140038
2-(6-acetylnaphthalen-2-yl)oxy-N-(1-cyclopropylethyl)acetamide
CID 71863242
2-(4-acetyl-2-methoxyphenoxy)-N-[(1R)-1-cyclopropylethyl]acetamide
CID 8808309
[2-[[(1S)-1-cyclopropylethyl]amino]-2-oxoethyl] 2-ethoxybenzoate
CID 9197591
N-(1-cyclopropylethyl)-2-[(2-phenoxyacetyl)amino]acetamide
CID 47117041
3-[2-[[(1S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]amino]-2-oxoethoxy]-N-(2-methoxyphenyl)naphthalene-2-carboxamide
CID 98750791
3-[2-[[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]amino]-2-oxoethoxy]-N-(2-methoxyphenyl)naphthalene-2-carboxamide
CID 98750790
[2-[[(1S)-1-cyclopropylethyl]amino]-2-oxoethyl] benzoate
CID 9018942
[2-[[(1R)-1-cyclopropylethyl]amino]-2-oxoethyl] 2-phenoxyacetate
CID 9018334
[2-[[(1S)-1-cyclopropylethyl]amino]-2-oxoethyl] 2-phenoxyacetate
CID 9018333

Frequently Asked Questions

What is the IUPAC name of methyl 3-[2-[[(1R)-1-cyclopropylethyl]amino]-2-oxoethoxy]naphthalene-2-carboxylate?
The IUPAC name of methyl 3-[2-[[(1R)-1-cyclopropylethyl]amino]-2-oxoethoxy]naphthalene-2-carboxylate (CID 51924023) is methyl 3-[2-[[(1R)-1-cyclopropylethyl]amino]-2-oxoethoxy]naphthalene-2-carboxylate.
What is the SMILES notation for methyl 3-[2-[[(1R)-1-cyclopropylethyl]amino]-2-oxoethoxy]naphthalene-2-carboxylate?
The canonical SMILES for methyl 3-[2-[[(1R)-1-cyclopropylethyl]amino]-2-oxoethoxy]naphthalene-2-carboxylate is COC(=O)c1cc2ccccc2cc1OCC(=O)N[C@H](C)C1CC1.
What is the InChIKey of methyl 3-[2-[[(1R)-1-cyclopropylethyl]amino]-2-oxoethoxy]naphthalene-2-carboxylate?
The InChIKey is RTTWVIZBYXIAJV-GFCCVEGCSA-N. The full InChI is InChI=1S/C19H21NO4/c1-12(13-7-8-13)20-18(21)11-24-17-10-15-6-4-3-5-14(15)9-16(17)19(22)23-2/h3-6,9-10,12-13H,7-8,11H2,1-2H3,(H,20,21)/t12-/m1/s1.
What are the key properties of methyl 3-[2-[[(1R)-1-cyclopropylethyl]amino]-2-oxoethoxy]naphthalene-2-carboxylate?
methyl 3-[2-[[(1R)-1-cyclopropylethyl]amino]-2-oxoethoxy]naphthalene-2-carboxylate has a molecular weight of 327.38 g/mol, XLogP of 2.92, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[2-[[(1R)-1-cyclopropylethyl]amino]-2-oxoethoxy]naphthalene-2-carboxylate is sourced from PubChem (CID 51924023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).