3-(2-aminophenyl)-N-(2-methyl-2-phenylpentan-3-yl)propanamide

C21H28N2O — CID 120611247

IUPAC3-(2-aminophenyl)-N-(2-methyl-2-phenylpentan-3-yl)propanamide
SMILESCCC(NC(=O)CCc1ccccc1N)C(C)(C)c1ccccc1
InChIInChI=1S/C21H28N2O/c1-4-19(21(2,3)17-11-6-5-7-12-17)23-20(24)15-14-16-10-8-9-13-18(16)22/h5-13,19H,4,14-15,22H2,1-3H3,(H,23,24)
InChIKeyCBXOXWJDKFSDQH-UHFFFAOYSA-N
MW324.47 g/mol
LogP4.07
Rot. Bonds7

About 3-(2-aminophenyl)-N-(2-methyl-2-phenylpentan-3-yl)propanamide

3-(2-aminophenyl)-N-(2-methyl-2-phenylpentan-3-yl)propanamide (PubChem CID 120611247) has the molecular formula C21H28N2O and a molecular weight of 324.47 g/mol. Its IUPAC name is 3-(2-aminophenyl)-N-(2-methyl-2-phenylpentan-3-yl)propanamide.

Molecular Properties

Compound Name3-(2-aminophenyl)-N-(2-methyl-2-phenylpentan-3-yl)propanamide
PubChem CID120611247
Molecular FormulaC21H28N2O
Molecular Weight324.47 g/mol
Exact Mass324.22
IUPAC Name3-(2-aminophenyl)-N-(2-methyl-2-phenylpentan-3-yl)propanamide
SMILESCCC(NC(=O)CCc1ccccc1N)C(C)(C)c1ccccc1
InChIInChI=1S/C21H28N2O/c1-4-19(21(2,3)17-11-6-5-7-12-17)23-20(24)15-14-16-10-8-9-13-18(16)22/h5-13,19H,4,14-15,22H2,1-3H3,(H,23,24)
InChIKeyCBXOXWJDKFSDQH-UHFFFAOYSA-N
XLogP4.07
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-(2-methyl-2-phenylpentan-3-yl)butanamide;hydrochloride
CID 119801288
3-(2-aminophenyl)-N-[1-(dimethylamino)-4,4-dimethylpentan-3-yl]propanamide;dihydrochloride
CID 120613234
2-[3-(2-aminophenyl)propanoylamino]-3-methylbutanamide
CID 107329581
2-[3-(2-aminophenyl)propanoylamino]-N-tert-butylpropanamide;hydrochloride
CID 120609736
2-[3-(2-aminophenyl)propanoylamino]-N-butan-2-ylpropanamide;hydrochloride
CID 120609968
(2R)-2-[3-(2-aminophenyl)propanoylamino]-4-methylpentanoic acid
CID 107273040
3-amino-2-methyl-N-(2-methyl-2-phenylpentan-3-yl)butanamide;hydrochloride
CID 120501519
methyl 2-[3-(2-aminophenyl)propanoylamino]propanoate
CID 107273028
3-(2-aminophenyl)-N-(1-pyridin-4-ylpropyl)propanamide
CID 120613150
3-(2-aminophenyl)-N-(3-ethylpentan-3-yl)propanamide
CID 65042808
3-(2-aminophenyl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]propanamide
CID 107273207
3-(2-aminophenyl)-N-(1-cyclohexylpropyl)propanamide
CID 62406368

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminophenyl)-N-(2-methyl-2-phenylpentan-3-yl)propanamide?
The IUPAC name of 3-(2-aminophenyl)-N-(2-methyl-2-phenylpentan-3-yl)propanamide (CID 120611247) is 3-(2-aminophenyl)-N-(2-methyl-2-phenylpentan-3-yl)propanamide.
What is the SMILES notation for 3-(2-aminophenyl)-N-(2-methyl-2-phenylpentan-3-yl)propanamide?
The canonical SMILES for 3-(2-aminophenyl)-N-(2-methyl-2-phenylpentan-3-yl)propanamide is CCC(NC(=O)CCc1ccccc1N)C(C)(C)c1ccccc1.
What is the InChIKey of 3-(2-aminophenyl)-N-(2-methyl-2-phenylpentan-3-yl)propanamide?
The InChIKey is CBXOXWJDKFSDQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O/c1-4-19(21(2,3)17-11-6-5-7-12-17)23-20(24)15-14-16-10-8-9-13-18(16)22/h5-13,19H,4,14-15,22H2,1-3H3,(H,23,24).
What are the key properties of 3-(2-aminophenyl)-N-(2-methyl-2-phenylpentan-3-yl)propanamide?
3-(2-aminophenyl)-N-(2-methyl-2-phenylpentan-3-yl)propanamide has a molecular weight of 324.47 g/mol, XLogP of 4.07, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminophenyl)-N-(2-methyl-2-phenylpentan-3-yl)propanamide is sourced from PubChem (CID 120611247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).