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

C19H23N3O3 — CID 110794429

IUPACN-[(5-acetamido-2-methoxyphenyl)methyl]-3-(dimethylamino)benzamide
SMILESCOc1ccc(NC(C)=O)cc1CNC(=O)c1cccc(N(C)C)c1
InChIInChI=1S/C19H23N3O3/c1-13(23)21-16-8-9-18(25-4)15(10-16)12-20-19(24)14-6-5-7-17(11-14)22(2)3/h5-11H,12H2,1-4H3,(H,20,24)(H,21,23)
InChIKeyZTNXCCWEOCOUEU-UHFFFAOYSA-N
MW341.41 g/mol
LogP2.65
Rot. Bonds6

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

N-[(5-acetamido-2-methoxyphenyl)methyl]-3-(dimethylamino)benzamide (PubChem CID 110794429) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is N-[(5-acetamido-2-methoxyphenyl)methyl]-3-(dimethylamino)benzamide.

Molecular Properties

Compound NameN-[(5-acetamido-2-methoxyphenyl)methyl]-3-(dimethylamino)benzamide
PubChem CID110794429
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC NameN-[(5-acetamido-2-methoxyphenyl)methyl]-3-(dimethylamino)benzamide
SMILESCOc1ccc(NC(C)=O)cc1CNC(=O)c1cccc(N(C)C)c1
InChIInChI=1S/C19H23N3O3/c1-13(23)21-16-8-9-18(25-4)15(10-16)12-20-19(24)14-6-5-7-17(11-14)22(2)3/h5-11H,12H2,1-4H3,(H,20,24)(H,21,23)
InChIKeyZTNXCCWEOCOUEU-UHFFFAOYSA-N
XLogP2.65
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5-acetamido-2-methoxyphenyl)methyl]-3-methoxybenzamide
CID 110784129
3-acetamido-N-[(5-fluoro-2-methoxyphenyl)methyl]benzamide
CID 110793473
N-[(5-acetamido-2-methoxyphenyl)methyl]-4-fluorobenzamide
CID 110784125
3-(dimethylamino)-N-(4-methoxy-3-methylphenyl)benzamide
CID 87032363
N-benzyl-3-[[3-[[3-(dimethylamino)phenyl]carbamoylamino]anilino]methyl]-4-methoxybenzamide
CID 134424314
N-[2-(5-acetamido-2-methoxyphenyl)ethyl]-3-methoxybenzamide
CID 110790375
3-(dimethylamino)-N-[2-(5-fluoro-2-methoxyphenyl)ethyl]benzamide
CID 110795180
N-[(5-acetamido-2-methoxyphenyl)methyl]-2-(2-chlorophenyl)acetamide
CID 110784166
N-[2-(aminomethyl)-5-[[3-(dimethylamino)benzoyl]amino]phenyl]-3,4-dimethoxybenzamide
CID 151119860
N-[[2-methoxy-5-(methylamino)phenyl]methyl]acetamide
CID 67557905
3-N-(3,4-dimethylphenyl)-1-N-[(2-methoxyphenyl)methyl]benzene-1,3-dicarboxamide
CID 109054817
3-(dimethylamino)-N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]benzamide
CID 46427160

Frequently Asked Questions

What is the IUPAC name of N-[(5-acetamido-2-methoxyphenyl)methyl]-3-(dimethylamino)benzamide?
The IUPAC name of N-[(5-acetamido-2-methoxyphenyl)methyl]-3-(dimethylamino)benzamide (CID 110794429) is N-[(5-acetamido-2-methoxyphenyl)methyl]-3-(dimethylamino)benzamide.
What is the SMILES notation for N-[(5-acetamido-2-methoxyphenyl)methyl]-3-(dimethylamino)benzamide?
The canonical SMILES for N-[(5-acetamido-2-methoxyphenyl)methyl]-3-(dimethylamino)benzamide is COc1ccc(NC(C)=O)cc1CNC(=O)c1cccc(N(C)C)c1.
What is the InChIKey of N-[(5-acetamido-2-methoxyphenyl)methyl]-3-(dimethylamino)benzamide?
The InChIKey is ZTNXCCWEOCOUEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-13(23)21-16-8-9-18(25-4)15(10-16)12-20-19(24)14-6-5-7-17(11-14)22(2)3/h5-11H,12H2,1-4H3,(H,20,24)(H,21,23).
What are the key properties of N-[(5-acetamido-2-methoxyphenyl)methyl]-3-(dimethylamino)benzamide?
N-[(5-acetamido-2-methoxyphenyl)methyl]-3-(dimethylamino)benzamide has a molecular weight of 341.41 g/mol, XLogP of 2.65, 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-(dimethylamino)benzamide is sourced from PubChem (CID 110794429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).