N-[[4-(dimethylamino)phenyl]methyl]-3-methoxybenzamide

C17H20N2O2 — CID 17462321

IUPACN-[[4-(dimethylamino)phenyl]methyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NCc2ccc(N(C)C)cc2)c1
InChIInChI=1S/C17H20N2O2/c1-19(2)15-9-7-13(8-10-15)12-18-17(20)14-5-4-6-16(11-14)21-3/h4-11H,12H2,1-3H3,(H,18,20)
InChIKeyPDGSPPIWMDJILO-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.69
Rot. Bonds5

About N-[[4-(dimethylamino)phenyl]methyl]-3-methoxybenzamide

N-[[4-(dimethylamino)phenyl]methyl]-3-methoxybenzamide (PubChem CID 17462321) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is N-[[4-(dimethylamino)phenyl]methyl]-3-methoxybenzamide.

Molecular Properties

Compound NameN-[[4-(dimethylamino)phenyl]methyl]-3-methoxybenzamide
PubChem CID17462321
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC NameN-[[4-(dimethylamino)phenyl]methyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NCc2ccc(N(C)C)cc2)c1
InChIInChI=1S/C17H20N2O2/c1-19(2)15-9-7-13(8-10-15)12-18-17(20)14-5-4-6-16(11-14)21-3/h4-11H,12H2,1-3H3,(H,18,20)
InChIKeyPDGSPPIWMDJILO-UHFFFAOYSA-N
XLogP2.69
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

3-N-[(3-methoxyphenyl)methyl]-1-N-[(4-methoxyphenyl)methyl]benzene-1,3-dicarboxamide
CID 10272573
N-[3-[4-(dimethylamino)phenyl]prop-2-ynyl]-3-methoxybenzamide
CID 90551830
N-[(3-hydroxyphenyl)methyl]-3-methoxybenzamide
CID 47292174
2-bromo-N-[[4-(dimethylamino)phenyl]methyl]-5-methoxybenzamide
CID 27887990
2-amino-N-[[4-(dimethylamino)phenyl]methyl]-4-methoxybenzamide
CID 82546293
3-(dimethylamino)-N-[[4-(hydroxymethyl)phenyl]methyl]benzamide
CID 107231911
N-[[4-(dimethylamino)phenyl]methyl]-6-methoxyquinoline-2-carboxamide
CID 33318425
3-methoxy-N-(pyridin-1-ium-3-ylmethyl)benzamide
CID 4196663
N-[(4-ethoxy-3-methylphenyl)methyl]-3-methoxybenzamide
CID 110781923
3-N-[(3-methoxyphenyl)methyl]-1-N-[(4-nitrophenyl)methyl]benzene-1,3-dicarboxamide
CID 10136847
3-methoxy-N-[3-[(3-methoxybenzoyl)amino]propyl]benzamide
CID 2167030
3-methoxy-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]benzamide
CID 108759230

Frequently Asked Questions

What is the IUPAC name of N-[[4-(dimethylamino)phenyl]methyl]-3-methoxybenzamide?
The IUPAC name of N-[[4-(dimethylamino)phenyl]methyl]-3-methoxybenzamide (CID 17462321) is N-[[4-(dimethylamino)phenyl]methyl]-3-methoxybenzamide.
What is the SMILES notation for N-[[4-(dimethylamino)phenyl]methyl]-3-methoxybenzamide?
The canonical SMILES for N-[[4-(dimethylamino)phenyl]methyl]-3-methoxybenzamide is COc1cccc(C(=O)NCc2ccc(N(C)C)cc2)c1.
What is the InChIKey of N-[[4-(dimethylamino)phenyl]methyl]-3-methoxybenzamide?
The InChIKey is PDGSPPIWMDJILO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-19(2)15-9-7-13(8-10-15)12-18-17(20)14-5-4-6-16(11-14)21-3/h4-11H,12H2,1-3H3,(H,18,20).
What are the key properties of N-[[4-(dimethylamino)phenyl]methyl]-3-methoxybenzamide?
N-[[4-(dimethylamino)phenyl]methyl]-3-methoxybenzamide has a molecular weight of 284.36 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(dimethylamino)phenyl]methyl]-3-methoxybenzamide is sourced from PubChem (CID 17462321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).