N-[(3-aminophenyl)methyl]-3-methoxy-N,4-dimethylbenzamide

C17H20N2O2 — CID 43457763

IUPACN-[(3-aminophenyl)methyl]-3-methoxy-N,4-dimethylbenzamide
SMILESCOc1cc(C(=O)N(C)Cc2cccc(N)c2)ccc1C
InChIInChI=1S/C17H20N2O2/c1-12-7-8-14(10-16(12)21-3)17(20)19(2)11-13-5-4-6-15(18)9-13/h4-10H,11,18H2,1-3H3
InChIKeyRSNKDBDBYPULLE-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.86
Rot. Bonds4

About N-[(3-aminophenyl)methyl]-3-methoxy-N,4-dimethylbenzamide

N-[(3-aminophenyl)methyl]-3-methoxy-N,4-dimethylbenzamide (PubChem CID 43457763) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is N-[(3-aminophenyl)methyl]-3-methoxy-N,4-dimethylbenzamide.

Molecular Properties

Compound NameN-[(3-aminophenyl)methyl]-3-methoxy-N,4-dimethylbenzamide
PubChem CID43457763
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC NameN-[(3-aminophenyl)methyl]-3-methoxy-N,4-dimethylbenzamide
SMILESCOc1cc(C(=O)N(C)Cc2cccc(N)c2)ccc1C
InChIInChI=1S/C17H20N2O2/c1-12-7-8-14(10-16(12)21-3)17(20)19(2)11-13-5-4-6-15(18)9-13/h4-10H,11,18H2,1-3H3
InChIKeyRSNKDBDBYPULLE-UHFFFAOYSA-N
XLogP2.86
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(3-aminophenyl)methyl]-3-fluoro-4-methoxy-N-methylbenzamide
CID 62057932
N-[(3-aminophenyl)methyl]-N,3-dimethylbenzamide
CID 43457819
3-[[(3,4-dimethoxybenzoyl)-methylamino]methyl]benzoic acid
CID 59190884
4-amino-N-benzyl-3-methoxy-N-methylbenzamide
CID 104782312
4-amino-N-[(3,4-dimethoxyphenyl)methyl]-N-methylbenzamide
CID 10424874
3-amino-N-[(3-chlorophenyl)methyl]-4-methoxy-N-methylbenzamide
CID 61117258
3-methoxy-N-[(3-methoxyphenyl)methyl]-N-methylbenzamide
CID 22070414
3-bromo-4-methoxy-N-methyl-N-[(3-methylphenyl)methyl]benzamide
CID 60737430
3-amino-N-[(3-bromophenyl)methyl]-N-methylbenzamide
CID 54916014
N-[(3-aminophenyl)methyl]-3-bromo-N,5-dimethylbenzamide
CID 104850560
3-amino-4-fluoro-N-[(3-methoxyphenyl)methyl]-N-methylbenzamide
CID 61115963
4-amino-N-[(4-hydroxy-3-methoxyphenyl)methyl]-N-methylbenzamide
CID 60963073

Frequently Asked Questions

What is the IUPAC name of N-[(3-aminophenyl)methyl]-3-methoxy-N,4-dimethylbenzamide?
The IUPAC name of N-[(3-aminophenyl)methyl]-3-methoxy-N,4-dimethylbenzamide (CID 43457763) is N-[(3-aminophenyl)methyl]-3-methoxy-N,4-dimethylbenzamide.
What is the SMILES notation for N-[(3-aminophenyl)methyl]-3-methoxy-N,4-dimethylbenzamide?
The canonical SMILES for N-[(3-aminophenyl)methyl]-3-methoxy-N,4-dimethylbenzamide is COc1cc(C(=O)N(C)Cc2cccc(N)c2)ccc1C.
What is the InChIKey of N-[(3-aminophenyl)methyl]-3-methoxy-N,4-dimethylbenzamide?
The InChIKey is RSNKDBDBYPULLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-12-7-8-14(10-16(12)21-3)17(20)19(2)11-13-5-4-6-15(18)9-13/h4-10H,11,18H2,1-3H3.
What are the key properties of N-[(3-aminophenyl)methyl]-3-methoxy-N,4-dimethylbenzamide?
N-[(3-aminophenyl)methyl]-3-methoxy-N,4-dimethylbenzamide has a molecular weight of 284.36 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-aminophenyl)methyl]-3-methoxy-N,4-dimethylbenzamide is sourced from PubChem (CID 43457763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).