N-(2-aminophenyl)-2-[benzyl(methyl)amino]acetamide

C16H19N3O — CID 21483014

IUPACN-(2-aminophenyl)-2-[benzyl(methyl)amino]acetamide
SMILESCN(CC(=O)Nc1ccccc1N)Cc1ccccc1
InChIInChI=1S/C16H19N3O/c1-19(11-13-7-3-2-4-8-13)12-16(20)18-15-10-6-5-9-14(15)17/h2-10H,11-12,17H2,1H3,(H,18,20)
InChIKeyBRUPVPNJVHTRRZ-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.34
Rot. Bonds5

About N-(2-aminophenyl)-2-[benzyl(methyl)amino]acetamide

N-(2-aminophenyl)-2-[benzyl(methyl)amino]acetamide (PubChem CID 21483014) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is N-(2-aminophenyl)-2-[benzyl(methyl)amino]acetamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-2-[benzyl(methyl)amino]acetamide
PubChem CID21483014
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC NameN-(2-aminophenyl)-2-[benzyl(methyl)amino]acetamide
SMILESCN(CC(=O)Nc1ccccc1N)Cc1ccccc1
InChIInChI=1S/C16H19N3O/c1-19(11-13-7-3-2-4-8-13)12-16(20)18-15-10-6-5-9-14(15)17/h2-10H,11-12,17H2,1H3,(H,18,20)
InChIKeyBRUPVPNJVHTRRZ-UHFFFAOYSA-N
XLogP2.34
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-aminophenyl)-2-[methyl(pyridin-3-ylmethyl)amino]acetamide
CID 43563126
2-[[2-(2-aminoanilino)-2-oxoethyl]-methylamino]-N-methylacetamide
CID 43374525
2-[benzyl(methyl)amino]-N-naphthalen-1-ylacetamide
CID 8901088
N-(2-aminophenyl)-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]acetamide
CID 61438617
N-(2-aminophenyl)-2-[methyl(2-methylpropyl)amino]acetamide
CID 43271763
N-(2-aminophenyl)-2-[cyclopropylmethyl(methyl)amino]acetamide
CID 54884484
2-[benzyl(methyl)amino]-N-(2-fluoro-4-methylphenyl)acetamide
CID 8901380
2-[benzyl(methyl)amino]-N-(4-chloro-2-methylphenyl)acetamide
CID 27133915
N-(2-ethylphenyl)-2-[(4-ethylphenyl)methyl-methylamino]acetamide
CID 27095559
2-[(4-chlorophenyl)methyl-methylamino]-N-(2-methylsulfanylphenyl)acetamide
CID 2698816
2-[[2-[benzyl(methyl)amino]acetyl]-methylamino]-N-(2-methylsulfanylphenyl)acetamide
CID 51223505
N-(2-aminophenyl)-2-[ethyl(pyridin-4-ylmethyl)amino]acetamide
CID 61450643

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-2-[benzyl(methyl)amino]acetamide?
The IUPAC name of N-(2-aminophenyl)-2-[benzyl(methyl)amino]acetamide (CID 21483014) is N-(2-aminophenyl)-2-[benzyl(methyl)amino]acetamide.
What is the SMILES notation for N-(2-aminophenyl)-2-[benzyl(methyl)amino]acetamide?
The canonical SMILES for N-(2-aminophenyl)-2-[benzyl(methyl)amino]acetamide is CN(CC(=O)Nc1ccccc1N)Cc1ccccc1.
What is the InChIKey of N-(2-aminophenyl)-2-[benzyl(methyl)amino]acetamide?
The InChIKey is BRUPVPNJVHTRRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-19(11-13-7-3-2-4-8-13)12-16(20)18-15-10-6-5-9-14(15)17/h2-10H,11-12,17H2,1H3,(H,18,20).
What are the key properties of N-(2-aminophenyl)-2-[benzyl(methyl)amino]acetamide?
N-(2-aminophenyl)-2-[benzyl(methyl)amino]acetamide has a molecular weight of 269.35 g/mol, XLogP of 2.34, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-2-[benzyl(methyl)amino]acetamide is sourced from PubChem (CID 21483014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).