N-(4-aminophenyl)-2-[methyl(2-phenylethyl)amino]acetamide

C17H21N3O — CID 65482728

IUPACN-(4-aminophenyl)-2-[methyl(2-phenylethyl)amino]acetamide
SMILESCN(CCc1ccccc1)CC(=O)Nc1ccc(N)cc1
InChIInChI=1S/C17H21N3O/c1-20(12-11-14-5-3-2-4-6-14)13-17(21)19-16-9-7-15(18)8-10-16/h2-10H,11-13,18H2,1H3,(H,19,21)
InChIKeyVSSQQYKAWQZIHB-UHFFFAOYSA-N
MW283.38 g/mol
LogP2.38
Rot. Bonds6

About N-(4-aminophenyl)-2-[methyl(2-phenylethyl)amino]acetamide

N-(4-aminophenyl)-2-[methyl(2-phenylethyl)amino]acetamide (PubChem CID 65482728) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is N-(4-aminophenyl)-2-[methyl(2-phenylethyl)amino]acetamide.

Molecular Properties

Compound NameN-(4-aminophenyl)-2-[methyl(2-phenylethyl)amino]acetamide
PubChem CID65482728
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC NameN-(4-aminophenyl)-2-[methyl(2-phenylethyl)amino]acetamide
SMILESCN(CCc1ccccc1)CC(=O)Nc1ccc(N)cc1
InChIInChI=1S/C17H21N3O/c1-20(12-11-14-5-3-2-4-6-14)13-17(21)19-16-9-7-15(18)8-10-16/h2-10H,11-13,18H2,1H3,(H,19,21)
InChIKeyVSSQQYKAWQZIHB-UHFFFAOYSA-N
XLogP2.38
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(4-methylphenyl)-2-[methyl(2-phenylethyl)amino]acetamide
CID 8785343
N-(4-aminophenyl)-2-[ethyl(methyl)amino]acetamide
CID 43263037
N-(4-aminophenyl)-3-[methyl-[2-(methylamino)-2-oxoethyl]amino]propanamide
CID 43374496
N-(3-methoxyphenyl)-2-[methyl(2-phenylethyl)amino]acetamide
CID 8555015
2-[(4-aminophenyl)methyl-methylamino]-N-(4-bromophenyl)acetamide
CID 43458291
N-(4-aminophenyl)-2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]acetamide
CID 43374598
3-[4-[[2-[benzyl(methyl)amino]acetyl]amino]phenyl]-N,N-dimethylpropanamide
CID 54811380
N-(4-acetamidophenyl)-2-[acetyl(2-phenylethyl)amino]acetamide
CID 113164087
2-[benzyl(methyl)amino]-N-[4-(3-phenylpropoxy)phenyl]acetamide
CID 54809010
N-(4-aminophenyl)-3-[[2-(dimethylamino)-2-oxoethyl]-methylamino]propanamide
CID 43374573
4-[[2-[benzyl(methyl)amino]acetyl]amino]-N,N-dimethylbenzamide
CID 8900899
2-[benzyl(methyl)amino]-N-[4-(diethylamino)phenyl]acetamide
CID 27133835

Frequently Asked Questions

What is the IUPAC name of N-(4-aminophenyl)-2-[methyl(2-phenylethyl)amino]acetamide?
The IUPAC name of N-(4-aminophenyl)-2-[methyl(2-phenylethyl)amino]acetamide (CID 65482728) is N-(4-aminophenyl)-2-[methyl(2-phenylethyl)amino]acetamide.
What is the SMILES notation for N-(4-aminophenyl)-2-[methyl(2-phenylethyl)amino]acetamide?
The canonical SMILES for N-(4-aminophenyl)-2-[methyl(2-phenylethyl)amino]acetamide is CN(CCc1ccccc1)CC(=O)Nc1ccc(N)cc1.
What is the InChIKey of N-(4-aminophenyl)-2-[methyl(2-phenylethyl)amino]acetamide?
The InChIKey is VSSQQYKAWQZIHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-20(12-11-14-5-3-2-4-6-14)13-17(21)19-16-9-7-15(18)8-10-16/h2-10H,11-13,18H2,1H3,(H,19,21).
What are the key properties of N-(4-aminophenyl)-2-[methyl(2-phenylethyl)amino]acetamide?
N-(4-aminophenyl)-2-[methyl(2-phenylethyl)amino]acetamide has a molecular weight of 283.38 g/mol, XLogP of 2.38, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminophenyl)-2-[methyl(2-phenylethyl)amino]acetamide is sourced from PubChem (CID 65482728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).