2-(3-amino-N-methylanilino)-N-phenylpropanamide

C16H19N3O — CID 61297699

IUPAC2-(3-amino-N-methylanilino)-N-phenylpropanamide
SMILESCC(C(=O)Nc1ccccc1)N(C)c1cccc(N)c1
InChIInChI=1S/C16H19N3O/c1-12(16(20)18-14-8-4-3-5-9-14)19(2)15-10-6-7-13(17)11-15/h3-12H,17H2,1-2H3,(H,18,20)
InChIKeyYJAVHRVMEAHBKY-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.73
Rot. Bonds4

About 2-(3-amino-N-methylanilino)-N-phenylpropanamide

2-(3-amino-N-methylanilino)-N-phenylpropanamide (PubChem CID 61297699) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 2-(3-amino-N-methylanilino)-N-phenylpropanamide.

Molecular Properties

Compound Name2-(3-amino-N-methylanilino)-N-phenylpropanamide
PubChem CID61297699
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name2-(3-amino-N-methylanilino)-N-phenylpropanamide
SMILESCC(C(=O)Nc1ccccc1)N(C)c1cccc(N)c1
InChIInChI=1S/C16H19N3O/c1-12(16(20)18-14-8-4-3-5-9-14)19(2)15-10-6-7-13(17)11-15/h3-12H,17H2,1-2H3,(H,18,20)
InChIKeyYJAVHRVMEAHBKY-UHFFFAOYSA-N
XLogP2.73
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.73
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

3-[[1-(3-aminoanilino)-1-oxopropan-2-yl]-methylamino]propanoic acid
CID 82224712
2-(3-amino-N-methylanilino)-N-(3-methylbutyl)propanamide
CID 61295832
2-(3-amino-N-methylanilino)-N-(2-methylbutan-2-yl)propanamide
CID 61296584
N-(3-amino-4-chlorophenyl)-2-(N-methylanilino)propanamide
CID 16779007
N-(3-aminophenyl)-2-[cycloheptyl(methyl)amino]propanamide
CID 43613799
2-[methyl(naphthalen-2-yl)amino]-N-(3-sulfamoylphenyl)propanamide
CID 78818809
N-(3-aminophenyl)-2-(dipropylamino)propanamide
CID 16778715
2-amino-N-(3-aminophenyl)propanamide
CID 110478892
N-(3-aminophenyl)-2-[2-methoxyethyl(methyl)amino]propanamide
CID 61429180
2-[[1-(3-aminoanilino)-3-methyl-1-oxobutan-2-yl]-methylamino]acetic acid
CID 82224656
N-(3-aminophenyl)-2-[methyl(oxan-4-yl)amino]propanamide
CID 43610700
N-(3-aminophenyl)-2-(N-methylanilino)acetamide
CID 16779401

Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-N-methylanilino)-N-phenylpropanamide?
The IUPAC name of 2-(3-amino-N-methylanilino)-N-phenylpropanamide (CID 61297699) is 2-(3-amino-N-methylanilino)-N-phenylpropanamide.
What is the SMILES notation for 2-(3-amino-N-methylanilino)-N-phenylpropanamide?
The canonical SMILES for 2-(3-amino-N-methylanilino)-N-phenylpropanamide is CC(C(=O)Nc1ccccc1)N(C)c1cccc(N)c1.
What is the InChIKey of 2-(3-amino-N-methylanilino)-N-phenylpropanamide?
The InChIKey is YJAVHRVMEAHBKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-12(16(20)18-14-8-4-3-5-9-14)19(2)15-10-6-7-13(17)11-15/h3-12H,17H2,1-2H3,(H,18,20).
What are the key properties of 2-(3-amino-N-methylanilino)-N-phenylpropanamide?
2-(3-amino-N-methylanilino)-N-phenylpropanamide has a molecular weight of 269.35 g/mol, XLogP of 2.73, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-N-methylanilino)-N-phenylpropanamide is sourced from PubChem (CID 61297699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).