naphthalen-2-yl 4-(acetamidomethyl)benzoate

C20H17NO3 — CID 43030693

IUPACnaphthalen-2-yl 4-(acetamidomethyl)benzoate
SMILESCC(=O)NCc1ccc(C(=O)Oc2ccc3ccccc3c2)cc1
InChIInChI=1S/C20H17NO3/c1-14(22)21-13-15-6-8-17(9-7-15)20(23)24-19-11-10-16-4-2-3-5-18(16)12-19/h2-12H,13H2,1H3,(H,21,22)
InChIKeyXLJDBKGZANLJBB-UHFFFAOYSA-N
MW319.36 g/mol
LogP3.70
Rot. Bonds4

About naphthalen-2-yl 4-(acetamidomethyl)benzoate

naphthalen-2-yl 4-(acetamidomethyl)benzoate (PubChem CID 43030693) has the molecular formula C20H17NO3 and a molecular weight of 319.36 g/mol. Its IUPAC name is naphthalen-2-yl 4-(acetamidomethyl)benzoate.

Molecular Properties

Compound Namenaphthalen-2-yl 4-(acetamidomethyl)benzoate
PubChem CID43030693
Molecular FormulaC20H17NO3
Molecular Weight319.36 g/mol
Exact Mass319.12
IUPAC Namenaphthalen-2-yl 4-(acetamidomethyl)benzoate
SMILESCC(=O)NCc1ccc(C(=O)Oc2ccc3ccccc3c2)cc1
InChIInChI=1S/C20H17NO3/c1-14(22)21-13-15-6-8-17(9-7-15)20(23)24-19-11-10-16-4-2-3-5-18(16)12-19/h2-12H,13H2,1H3,(H,21,22)
InChIKeyXLJDBKGZANLJBB-UHFFFAOYSA-N
XLogP3.70
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

naphthalen-2-yl 4-methoxybenzoate
CID 532400
naphthalen-2-yl 4-butylbenzoate
CID 532284
[6-(4-ethylbenzoyl)oxynaphthalen-2-yl] 4-ethylbenzoate
CID 59281890
N-[(4-methoxyphenyl)methyl]naphthalene-2-carboxamide
CID 883831
4-(acetamidomethyl)-N-[(6-methoxynaphthalen-2-yl)methyl]benzamide
CID 17454314
[4-[4-[1-[2-[4-[4-(4-ethylbenzoyl)oxybenzoyl]oxybenzoyl]oxynaphthalen-1-yl]naphthalen-2-yl]oxycarbonylphenoxy]carbonylphenyl] 4-ethylbenzoate;[1-[2-[6-(4-ethylbenzoyl)oxynaphthalene-2-carbonyl]oxynaphthalen-1-yl]naphthalen-2-yl] 6-(4-ethylbenzoyl)oxynaphthalene-2-carboxylate
CID 157381645
naphthalen-2-yl 4-(4-chlorobenzoyl)oxybenzoate
CID 58741740
methyl 4-[(naphthalen-2-ylmethylamino)methyl]benzoate
CID 11573081
(2,4,6-trichlorophenyl) 4-(acetamidomethyl)benzoate
CID 46819914
naphthalen-2-yl 4-(2-phenylethoxy)benzoate
CID 23012279
N-[(4-methoxyphenyl)methyl]acetamide;hydrochloride
CID 139808929
[4-(acetamidomethyl)phenyl] acetate
CID 15576450

Frequently Asked Questions

What is the IUPAC name of naphthalen-2-yl 4-(acetamidomethyl)benzoate?
The IUPAC name of naphthalen-2-yl 4-(acetamidomethyl)benzoate (CID 43030693) is naphthalen-2-yl 4-(acetamidomethyl)benzoate.
What is the SMILES notation for naphthalen-2-yl 4-(acetamidomethyl)benzoate?
The canonical SMILES for naphthalen-2-yl 4-(acetamidomethyl)benzoate is CC(=O)NCc1ccc(C(=O)Oc2ccc3ccccc3c2)cc1.
What is the InChIKey of naphthalen-2-yl 4-(acetamidomethyl)benzoate?
The InChIKey is XLJDBKGZANLJBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO3/c1-14(22)21-13-15-6-8-17(9-7-15)20(23)24-19-11-10-16-4-2-3-5-18(16)12-19/h2-12H,13H2,1H3,(H,21,22).
What are the key properties of naphthalen-2-yl 4-(acetamidomethyl)benzoate?
naphthalen-2-yl 4-(acetamidomethyl)benzoate has a molecular weight of 319.36 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for naphthalen-2-yl 4-(acetamidomethyl)benzoate is sourced from PubChem (CID 43030693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).