methyl 3-acetamido-6-phenylnaphthalene-2-carboxylate

C20H17NO3 — CID 58646768

IUPACmethyl 3-acetamido-6-phenylnaphthalene-2-carboxylate
SMILESCOC(=O)c1cc2ccc(-c3ccccc3)cc2cc1NC(C)=O
InChIInChI=1S/C20H17NO3/c1-13(22)21-19-12-17-10-15(14-6-4-3-5-7-14)8-9-16(17)11-18(19)20(23)24-2/h3-12H,1-2H3,(H,21,22)
InChIKeyFPTCQNSCHBLBHY-UHFFFAOYSA-N
MW319.36 g/mol
LogP4.25
Rot. Bonds3

About methyl 3-acetamido-6-phenylnaphthalene-2-carboxylate

methyl 3-acetamido-6-phenylnaphthalene-2-carboxylate (PubChem CID 58646768) has the molecular formula C20H17NO3 and a molecular weight of 319.36 g/mol. Its IUPAC name is methyl 3-acetamido-6-phenylnaphthalene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-acetamido-6-phenylnaphthalene-2-carboxylate
PubChem CID58646768
Molecular FormulaC20H17NO3
Molecular Weight319.36 g/mol
Exact Mass319.12
IUPAC Namemethyl 3-acetamido-6-phenylnaphthalene-2-carboxylate
SMILESCOC(=O)c1cc2ccc(-c3ccccc3)cc2cc1NC(C)=O
InChIInChI=1S/C20H17NO3/c1-13(22)21-19-12-17-10-15(14-6-4-3-5-7-14)8-9-16(17)11-18(19)20(23)24-2/h3-12H,1-2H3,(H,21,22)
InChIKeyFPTCQNSCHBLBHY-UHFFFAOYSA-N
XLogP4.25
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-acetamido-5-phenylbenzoic acid
CID 70700127
methyl 2-amino-4-phenylbenzoate
CID 53412316
methyl 2-acetamido-5-[6-(3,4-dimethoxyphenyl)-2-phenylpyrimidin-4-yl]benzoate
CID 137333660
methyl 2-[(3,5-dichlorobenzoyl)amino]-4-phenylbenzoate
CID 146601280
2-[2-(2-methoxycarbonyl-4-phenylanilino)-2-oxoethoxy]acetic acid
CID 51040149
methyl 3-[(2-phenylmethoxyacetyl)amino]naphthalene-2-carboxylate
CID 55784858
2-amino-5-phenylbenzoic acid;methyl 2-amino-5-phenylbenzoate
CID 159000318
methyl 2-phenylazulene-6-carboxylate
CID 23257786
methyl 7-(3-methoxyphenyl)-3-(trifluoromethylsulfonyloxy)naphthalene-2-carboxylate
CID 72545465
2,7-diphenylanthracene
CID 154020316
dimethyl 4-acetamidobenzene-1,3-dicarboxylate
CID 2802943
dimethyl 4-(4-methoxyphenyl)benzene-1,2-dicarboxylate
CID 135017986

Frequently Asked Questions

What is the IUPAC name of methyl 3-acetamido-6-phenylnaphthalene-2-carboxylate?
The IUPAC name of methyl 3-acetamido-6-phenylnaphthalene-2-carboxylate (CID 58646768) is methyl 3-acetamido-6-phenylnaphthalene-2-carboxylate.
What is the SMILES notation for methyl 3-acetamido-6-phenylnaphthalene-2-carboxylate?
The canonical SMILES for methyl 3-acetamido-6-phenylnaphthalene-2-carboxylate is COC(=O)c1cc2ccc(-c3ccccc3)cc2cc1NC(C)=O.
What is the InChIKey of methyl 3-acetamido-6-phenylnaphthalene-2-carboxylate?
The InChIKey is FPTCQNSCHBLBHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO3/c1-13(22)21-19-12-17-10-15(14-6-4-3-5-7-14)8-9-16(17)11-18(19)20(23)24-2/h3-12H,1-2H3,(H,21,22).
What are the key properties of methyl 3-acetamido-6-phenylnaphthalene-2-carboxylate?
methyl 3-acetamido-6-phenylnaphthalene-2-carboxylate has a molecular weight of 319.36 g/mol, XLogP of 4.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-acetamido-6-phenylnaphthalene-2-carboxylate is sourced from PubChem (CID 58646768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).