4-amino-N-benzyl-3-methoxy-N-methylbenzamide

C16H18N2O2 — CID 104782312

IUPAC4-amino-N-benzyl-3-methoxy-N-methylbenzamide
SMILESCOc1cc(C(=O)N(C)Cc2ccccc2)ccc1N
InChIInChI=1S/C16H18N2O2/c1-18(11-12-6-4-3-5-7-12)16(19)13-8-9-14(17)15(10-13)20-2/h3-10H,11,17H2,1-2H3
InChIKeyIQLPBGZUPWHFCH-UHFFFAOYSA-N
MW270.33 g/mol
LogP2.55
Rot. Bonds4

About 4-amino-N-benzyl-3-methoxy-N-methylbenzamide

4-amino-N-benzyl-3-methoxy-N-methylbenzamide (PubChem CID 104782312) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 4-amino-N-benzyl-3-methoxy-N-methylbenzamide.

Molecular Properties

Compound Name4-amino-N-benzyl-3-methoxy-N-methylbenzamide
PubChem CID104782312
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name4-amino-N-benzyl-3-methoxy-N-methylbenzamide
SMILESCOc1cc(C(=O)N(C)Cc2ccccc2)ccc1N
InChIInChI=1S/C16H18N2O2/c1-18(11-12-6-4-3-5-7-12)16(19)13-8-9-14(17)15(10-13)20-2/h3-10H,11,17H2,1-2H3
InChIKeyIQLPBGZUPWHFCH-UHFFFAOYSA-N
XLogP2.55
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-amino-N-benzyl-3-methoxy-N-methylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-amino-3-methoxy-N-methyl-N-[(2-methylphenyl)methyl]benzamide
CID 104782446
N-benzyl-3,4,5-trimethoxy-N-methylbenzamide
CID 669607
N-benzyl-3-methoxy-N-methyl-4-prop-2-enoxybenzamide
CID 134016517
N-[(3-aminophenyl)methyl]-3-methoxy-N,4-dimethylbenzamide
CID 43457763
3,5-diamino-N-benzyl-N-methylbenzamide
CID 61092300
3-[[(3,4-dimethoxybenzoyl)-methylamino]methyl]benzoic acid
CID 59190884
3-amino-N-[(3-chlorophenyl)methyl]-4-methoxy-N-methylbenzamide
CID 61117258
4-amino-3-methoxy-N-methyl-N-[(2-methylfuran-3-yl)methyl]benzamide
CID 104782708
N-benzyl-2,6-dimethoxy-N-methylbenzamide
CID 3333869
methyl 3-[(4-amino-3-methoxybenzoyl)-methylamino]-2-methylpropanoate
CID 104782621
N-[(4-chlorophenyl)methyl]-3,4-dimethoxy-N-methylbenzamide
CID 28632210
N-[(3-aminophenyl)methyl]-3-fluoro-4-methoxy-N-methylbenzamide
CID 62057932

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-benzyl-3-methoxy-N-methylbenzamide?
The IUPAC name of 4-amino-N-benzyl-3-methoxy-N-methylbenzamide (CID 104782312) is 4-amino-N-benzyl-3-methoxy-N-methylbenzamide.
What is the SMILES notation for 4-amino-N-benzyl-3-methoxy-N-methylbenzamide?
The canonical SMILES for 4-amino-N-benzyl-3-methoxy-N-methylbenzamide is COc1cc(C(=O)N(C)Cc2ccccc2)ccc1N.
What is the InChIKey of 4-amino-N-benzyl-3-methoxy-N-methylbenzamide?
The InChIKey is IQLPBGZUPWHFCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-18(11-12-6-4-3-5-7-12)16(19)13-8-9-14(17)15(10-13)20-2/h3-10H,11,17H2,1-2H3.
What are the key properties of 4-amino-N-benzyl-3-methoxy-N-methylbenzamide?
4-amino-N-benzyl-3-methoxy-N-methylbenzamide has a molecular weight of 270.33 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-benzyl-3-methoxy-N-methylbenzamide is sourced from PubChem (CID 104782312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).