3-(dimethylamino)-N-[4-(2-methoxyethoxy)phenyl]benzamide

C18H22N2O3 — CID 46437083

IUPAC3-(dimethylamino)-N-[4-(2-methoxyethoxy)phenyl]benzamide
SMILESCOCCOc1ccc(NC(=O)c2cccc(N(C)C)c2)cc1
InChIInChI=1S/C18H22N2O3/c1-20(2)16-6-4-5-14(13-16)18(21)19-15-7-9-17(10-8-15)23-12-11-22-3/h4-10,13H,11-12H2,1-3H3,(H,19,21)
InChIKeyITJABLGUPFEMDJ-UHFFFAOYSA-N
MW314.39 g/mol
LogP3.03
Rot. Bonds7

About 3-(dimethylamino)-N-[4-(2-methoxyethoxy)phenyl]benzamide

3-(dimethylamino)-N-[4-(2-methoxyethoxy)phenyl]benzamide (PubChem CID 46437083) has the molecular formula C18H22N2O3 and a molecular weight of 314.39 g/mol. Its IUPAC name is 3-(dimethylamino)-N-[4-(2-methoxyethoxy)phenyl]benzamide.

Molecular Properties

Compound Name3-(dimethylamino)-N-[4-(2-methoxyethoxy)phenyl]benzamide
PubChem CID46437083
Molecular FormulaC18H22N2O3
Molecular Weight314.39 g/mol
Exact Mass314.16
IUPAC Name3-(dimethylamino)-N-[4-(2-methoxyethoxy)phenyl]benzamide
SMILESCOCCOc1ccc(NC(=O)c2cccc(N(C)C)c2)cc1
InChIInChI=1S/C18H22N2O3/c1-20(2)16-6-4-5-14(13-16)18(21)19-15-7-9-17(10-8-15)23-12-11-22-3/h4-10,13H,11-12H2,1-3H3,(H,19,21)
InChIKeyITJABLGUPFEMDJ-UHFFFAOYSA-N
XLogP3.03
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(2-amino-2-oxoethoxy)phenyl]-3-(dimethylamino)benzamide
CID 38381278
3-(dimethylamino)-N-(4-methylphenyl)benzamide
CID 7899886
4-(2-methoxyethoxy)-N-[4-(2-methoxyethoxy)phenyl]benzamide
CID 15943272
N-[4-(diethylamino)phenyl]-3-(dimethylamino)benzamide
CID 8761945
N-[4-[methyl(phenyl)carbamoyl]phenyl]-3-(2-phenoxyethoxy)benzamide
CID 17230251
N-(4-bromophenyl)-3-(dimethylamino)benzamide
CID 690521
N-[4-[2-(dimethylamino)ethoxy]phenyl]-3-(methoxymethyl)benzamide
CID 87006893
3-(dimethylamino)-N-(4-formylphenyl)benzamide
CID 106912114
3-butoxy-N-[4-(2-phenoxyethoxy)phenyl]benzamide
CID 4958264
N-[4-(2-phenoxyethoxy)phenyl]-3-propoxybenzamide
CID 4960126
N-(4-butoxyphenyl)-3-(2-phenoxyethoxy)benzamide
CID 4955059
4-(2-methoxyethoxy)-N-phenylbenzamide
CID 15943269

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-N-[4-(2-methoxyethoxy)phenyl]benzamide?
The IUPAC name of 3-(dimethylamino)-N-[4-(2-methoxyethoxy)phenyl]benzamide (CID 46437083) is 3-(dimethylamino)-N-[4-(2-methoxyethoxy)phenyl]benzamide.
What is the SMILES notation for 3-(dimethylamino)-N-[4-(2-methoxyethoxy)phenyl]benzamide?
The canonical SMILES for 3-(dimethylamino)-N-[4-(2-methoxyethoxy)phenyl]benzamide is COCCOc1ccc(NC(=O)c2cccc(N(C)C)c2)cc1.
What is the InChIKey of 3-(dimethylamino)-N-[4-(2-methoxyethoxy)phenyl]benzamide?
The InChIKey is ITJABLGUPFEMDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3/c1-20(2)16-6-4-5-14(13-16)18(21)19-15-7-9-17(10-8-15)23-12-11-22-3/h4-10,13H,11-12H2,1-3H3,(H,19,21).
What are the key properties of 3-(dimethylamino)-N-[4-(2-methoxyethoxy)phenyl]benzamide?
3-(dimethylamino)-N-[4-(2-methoxyethoxy)phenyl]benzamide has a molecular weight of 314.39 g/mol, XLogP of 3.03, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-N-[4-(2-methoxyethoxy)phenyl]benzamide is sourced from PubChem (CID 46437083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).