2,4-diamino-N-methyl-N-(2-phenylethyl)benzamide

C16H19N3O — CID 61107981

IUPAC2,4-diamino-N-methyl-N-(2-phenylethyl)benzamide
SMILESCN(CCc1ccccc1)C(=O)c1ccc(N)cc1N
InChIInChI=1S/C16H19N3O/c1-19(10-9-12-5-3-2-4-6-12)16(20)14-8-7-13(17)11-15(14)18/h2-8,11H,9-10,17-18H2,1H3
InChIKeyPLWYUMVZXBFLKE-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.17
Rot. Bonds4

About 2,4-diamino-N-methyl-N-(2-phenylethyl)benzamide

2,4-diamino-N-methyl-N-(2-phenylethyl)benzamide (PubChem CID 61107981) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 2,4-diamino-N-methyl-N-(2-phenylethyl)benzamide.

Molecular Properties

Compound Name2,4-diamino-N-methyl-N-(2-phenylethyl)benzamide
PubChem CID61107981
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name2,4-diamino-N-methyl-N-(2-phenylethyl)benzamide
SMILESCN(CCc1ccccc1)C(=O)c1ccc(N)cc1N
InChIInChI=1S/C16H19N3O/c1-19(10-9-12-5-3-2-4-6-12)16(20)14-8-7-13(17)11-15(14)18/h2-8,11H,9-10,17-18H2,1H3
InChIKeyPLWYUMVZXBFLKE-UHFFFAOYSA-N
XLogP2.17
TPSA72.35 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 ≤ 52.17
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

2-amino-5-methoxy-N-methyl-N-(2-phenylethyl)benzamide
CID 61110256
N,2,5-trimethyl-N-(2-phenylethyl)benzamide
CID 175917988
4-amino-3-fluoro-N-methyl-N-(2-phenylethyl)benzamide
CID 62680430
ethane;N-methyl-N-(2-phenylethyl)benzamide
CID 143447769
2-bromo-N-methyl-N-(2-phenylethyl)benzamide
CID 60739770
2-(3-aminophenyl)-N-methyl-N-(2-phenylethyl)acetamide
CID 62499017
2,4-diamino-N-[(4-chlorophenyl)methyl]-N-methylbenzamide
CID 61118647
2-amino-N,6-dimethyl-N-(2-phenylethyl)benzamide
CID 61108737
5-amino-2-fluoro-N-methyl-N-(2-pyridin-4-ylethyl)benzamide
CID 60913362
2-amino-N-ethyl-4-fluoro-N-(2-phenylethyl)benzamide
CID 63110267
3-[methyl(2-phenylethyl)carbamoyl]benzoic acid
CID 65487165
2-(ethylamino)-N-methyl-N-(2-phenylethyl)benzamide
CID 63108183

Frequently Asked Questions

What is the IUPAC name of 2,4-diamino-N-methyl-N-(2-phenylethyl)benzamide?
The IUPAC name of 2,4-diamino-N-methyl-N-(2-phenylethyl)benzamide (CID 61107981) is 2,4-diamino-N-methyl-N-(2-phenylethyl)benzamide.
What is the SMILES notation for 2,4-diamino-N-methyl-N-(2-phenylethyl)benzamide?
The canonical SMILES for 2,4-diamino-N-methyl-N-(2-phenylethyl)benzamide is CN(CCc1ccccc1)C(=O)c1ccc(N)cc1N.
What is the InChIKey of 2,4-diamino-N-methyl-N-(2-phenylethyl)benzamide?
The InChIKey is PLWYUMVZXBFLKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-19(10-9-12-5-3-2-4-6-12)16(20)14-8-7-13(17)11-15(14)18/h2-8,11H,9-10,17-18H2,1H3.
What are the key properties of 2,4-diamino-N-methyl-N-(2-phenylethyl)benzamide?
2,4-diamino-N-methyl-N-(2-phenylethyl)benzamide has a molecular weight of 269.35 g/mol, XLogP of 2.17, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diamino-N-methyl-N-(2-phenylethyl)benzamide is sourced from PubChem (CID 61107981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).