2-amino-N-[[4-(dimethylamino)phenyl]methyl]-4-methoxybenzamide

C17H21N3O2 — CID 82546293

IUPAC2-amino-N-[[4-(dimethylamino)phenyl]methyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCc2ccc(N(C)C)cc2)c(N)c1
InChIInChI=1S/C17H21N3O2/c1-20(2)13-6-4-12(5-7-13)11-19-17(21)15-9-8-14(22-3)10-16(15)18/h4-10H,11,18H2,1-3H3,(H,19,21)
InChIKeyFWDAYVFSSCGQAZ-UHFFFAOYSA-N
MW299.37 g/mol
LogP2.27
Rot. Bonds5

About 2-amino-N-[[4-(dimethylamino)phenyl]methyl]-4-methoxybenzamide

2-amino-N-[[4-(dimethylamino)phenyl]methyl]-4-methoxybenzamide (PubChem CID 82546293) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is 2-amino-N-[[4-(dimethylamino)phenyl]methyl]-4-methoxybenzamide.

Molecular Properties

Compound Name2-amino-N-[[4-(dimethylamino)phenyl]methyl]-4-methoxybenzamide
PubChem CID82546293
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC Name2-amino-N-[[4-(dimethylamino)phenyl]methyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCc2ccc(N(C)C)cc2)c(N)c1
InChIInChI=1S/C17H21N3O2/c1-20(2)13-6-4-12(5-7-13)11-19-17(21)15-9-8-14(22-3)10-16(15)18/h4-10H,11,18H2,1-3H3,(H,19,21)
InChIKeyFWDAYVFSSCGQAZ-UHFFFAOYSA-N
XLogP2.27
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-[(4-ethylphenyl)methyl]-4-methoxybenzamide
CID 106899778
2-amino-N-[(4-hydroxyphenyl)methyl]-4-methoxybenzamide
CID 114332211
2-bromo-N-[[4-(dimethylamino)phenyl]methyl]-5-methoxybenzamide
CID 27887990
N-[[4-(dimethylamino)phenyl]methyl]-3-methoxybenzamide
CID 17462321
N-[[4-(dimethylamino)phenyl]methyl]-6-methoxyquinoline-2-carboxamide
CID 33318425
N-[[4-(dimethylamino)phenyl]methyl]-2-methoxy-5-methylbenzamide
CID 9305214
2-amino-N-[(2-ethylphenyl)methyl]-4-methoxybenzamide
CID 115413362
2-chloro-4-methoxy-N-[(4-methoxyphenyl)methyl]benzamide
CID 110763493
2-amino-N-[2-(4-fluorophenyl)ethyl]-4-methoxybenzamide
CID 80503131
2-amino-N-hydroxy-4-methoxybenzamide
CID 115413301
2-amino-N-[(5-bromothiophen-2-yl)methyl]-4-methoxybenzamide
CID 115412848
2-fluoro-N-[(4-fluorophenyl)methyl]-4-methoxybenzamide
CID 30691396

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[[4-(dimethylamino)phenyl]methyl]-4-methoxybenzamide?
The IUPAC name of 2-amino-N-[[4-(dimethylamino)phenyl]methyl]-4-methoxybenzamide (CID 82546293) is 2-amino-N-[[4-(dimethylamino)phenyl]methyl]-4-methoxybenzamide.
What is the SMILES notation for 2-amino-N-[[4-(dimethylamino)phenyl]methyl]-4-methoxybenzamide?
The canonical SMILES for 2-amino-N-[[4-(dimethylamino)phenyl]methyl]-4-methoxybenzamide is COc1ccc(C(=O)NCc2ccc(N(C)C)cc2)c(N)c1.
What is the InChIKey of 2-amino-N-[[4-(dimethylamino)phenyl]methyl]-4-methoxybenzamide?
The InChIKey is FWDAYVFSSCGQAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-20(2)13-6-4-12(5-7-13)11-19-17(21)15-9-8-14(22-3)10-16(15)18/h4-10H,11,18H2,1-3H3,(H,19,21).
What are the key properties of 2-amino-N-[[4-(dimethylamino)phenyl]methyl]-4-methoxybenzamide?
2-amino-N-[[4-(dimethylamino)phenyl]methyl]-4-methoxybenzamide has a molecular weight of 299.37 g/mol, XLogP of 2.27, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[[4-(dimethylamino)phenyl]methyl]-4-methoxybenzamide is sourced from PubChem (CID 82546293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).