N-[(5-acetamido-2-methoxyphenyl)methyl]-3-methoxybenzamide

C18H20N2O4 — CID 110784129

IUPACN-[(5-acetamido-2-methoxyphenyl)methyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NCc2cc(NC(C)=O)ccc2OC)c1
InChIInChI=1S/C18H20N2O4/c1-12(21)20-15-7-8-17(24-3)14(9-15)11-19-18(22)13-5-4-6-16(10-13)23-2/h4-10H,11H2,1-3H3,(H,19,22)(H,20,21)
InChIKeyKURZBLPFZXGQAU-UHFFFAOYSA-N
MW328.37 g/mol
LogP2.59
Rot. Bonds6

About N-[(5-acetamido-2-methoxyphenyl)methyl]-3-methoxybenzamide

N-[(5-acetamido-2-methoxyphenyl)methyl]-3-methoxybenzamide (PubChem CID 110784129) has the molecular formula C18H20N2O4 and a molecular weight of 328.37 g/mol. Its IUPAC name is N-[(5-acetamido-2-methoxyphenyl)methyl]-3-methoxybenzamide.

Molecular Properties

Compound NameN-[(5-acetamido-2-methoxyphenyl)methyl]-3-methoxybenzamide
PubChem CID110784129
Molecular FormulaC18H20N2O4
Molecular Weight328.37 g/mol
Exact Mass328.14
IUPAC NameN-[(5-acetamido-2-methoxyphenyl)methyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NCc2cc(NC(C)=O)ccc2OC)c1
InChIInChI=1S/C18H20N2O4/c1-12(21)20-15-7-8-17(24-3)14(9-15)11-19-18(22)13-5-4-6-16(10-13)23-2/h4-10H,11H2,1-3H3,(H,19,22)(H,20,21)
InChIKeyKURZBLPFZXGQAU-UHFFFAOYSA-N
XLogP2.59
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(5-acetamido-2-methoxyphenyl)ethyl]-3-methoxybenzamide
CID 110790375
N-[(5-acetamido-2-methoxyphenyl)methyl]-3-(dimethylamino)benzamide
CID 110794429
3-acetamido-N-[(5-fluoro-2-methoxyphenyl)methyl]benzamide
CID 110793473
N-[(5-acetamido-2-methoxyphenyl)methyl]-4-fluorobenzamide
CID 110784125
N-[(2,5-dimethoxyphenyl)methyl]-3-methylbenzamide
CID 33097699
1-N,4-N-bis[(2,5-dimethoxyphenyl)methyl]benzene-1,4-dicarboxamide
CID 46542093
N-[3-[(2,5-dimethoxyphenyl)methylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 33102267
N-[(2,5-dimethoxyphenyl)methyl]-4-(phenylcarbamoylamino)benzamide
CID 33104762
N-[(5-acetamido-2-methoxyphenyl)methyl]-2-(2-chlorophenyl)acetamide
CID 110784166
N-[(2-chlorophenyl)methyl]-3-methoxybenzamide
CID 790117
3-N-(3-methoxyphenyl)-1-N-[(2-methylphenyl)methyl]benzene-1,3-dicarboxamide
CID 109054252
3-N-(3,4-dimethylphenyl)-1-N-[(2-methoxyphenyl)methyl]benzene-1,3-dicarboxamide
CID 109054817

Frequently Asked Questions

What is the IUPAC name of N-[(5-acetamido-2-methoxyphenyl)methyl]-3-methoxybenzamide?
The IUPAC name of N-[(5-acetamido-2-methoxyphenyl)methyl]-3-methoxybenzamide (CID 110784129) is N-[(5-acetamido-2-methoxyphenyl)methyl]-3-methoxybenzamide.
What is the SMILES notation for N-[(5-acetamido-2-methoxyphenyl)methyl]-3-methoxybenzamide?
The canonical SMILES for N-[(5-acetamido-2-methoxyphenyl)methyl]-3-methoxybenzamide is COc1cccc(C(=O)NCc2cc(NC(C)=O)ccc2OC)c1.
What is the InChIKey of N-[(5-acetamido-2-methoxyphenyl)methyl]-3-methoxybenzamide?
The InChIKey is KURZBLPFZXGQAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4/c1-12(21)20-15-7-8-17(24-3)14(9-15)11-19-18(22)13-5-4-6-16(10-13)23-2/h4-10H,11H2,1-3H3,(H,19,22)(H,20,21).
What are the key properties of N-[(5-acetamido-2-methoxyphenyl)methyl]-3-methoxybenzamide?
N-[(5-acetamido-2-methoxyphenyl)methyl]-3-methoxybenzamide has a molecular weight of 328.37 g/mol, XLogP of 2.59, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-acetamido-2-methoxyphenyl)methyl]-3-methoxybenzamide is sourced from PubChem (CID 110784129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).