2-amino-N-[2-(diethylamino)-3-phenylpropyl]benzamide

C20H27N3O — CID 119946555

IUPAC2-amino-N-[2-(diethylamino)-3-phenylpropyl]benzamide
SMILESCCN(CC)C(CNC(=O)c1ccccc1N)Cc1ccccc1
InChIInChI=1S/C20H27N3O/c1-3-23(4-2)17(14-16-10-6-5-7-11-16)15-22-20(24)18-12-8-9-13-19(18)21/h5-13,17H,3-4,14-15,21H2,1-2H3,(H,22,24)
InChIKeyCUTVIJLPPGYXFO-UHFFFAOYSA-N
MW325.46 g/mol
LogP2.95
Rot. Bonds8

About 2-amino-N-[2-(diethylamino)-3-phenylpropyl]benzamide

2-amino-N-[2-(diethylamino)-3-phenylpropyl]benzamide (PubChem CID 119946555) has the molecular formula C20H27N3O and a molecular weight of 325.46 g/mol. Its IUPAC name is 2-amino-N-[2-(diethylamino)-3-phenylpropyl]benzamide.

Molecular Properties

Compound Name2-amino-N-[2-(diethylamino)-3-phenylpropyl]benzamide
PubChem CID119946555
Molecular FormulaC20H27N3O
Molecular Weight325.46 g/mol
Exact Mass325.22
IUPAC Name2-amino-N-[2-(diethylamino)-3-phenylpropyl]benzamide
SMILESCCN(CC)C(CNC(=O)c1ccccc1N)Cc1ccccc1
InChIInChI=1S/C20H27N3O/c1-3-23(4-2)17(14-16-10-6-5-7-11-16)15-22-20(24)18-12-8-9-13-19(18)21/h5-13,17H,3-4,14-15,21H2,1-2H3,(H,22,24)
InChIKeyCUTVIJLPPGYXFO-UHFFFAOYSA-N
XLogP2.95
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 52.95
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-amino-N-[2-(diethylamino)-3-phenylpropyl]pyrazine-2-carboxamide
CID 43067611
N-[2-(diethylamino)-3-phenylpropyl]-1,3-benzodioxole-4-carboxamide
CID 55835831
2-amino-N-[2-(diethylamino)-3-phenylpropyl]-3-phenylpropanamide
CID 119849948
2-amino-N-[2-(diethylamino)-3-phenylpropyl]-2-methylpropanamide
CID 119849944
N-[2-(diethylamino)-3-phenylpropyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 87008828
N-[2-(diethylamino)-3-phenylpropyl]-4-methylsulfonylbenzamide
CID 43067489
1-amino-N-[2-(diethylamino)-3-phenylpropyl]cyclopentane-1-carboxamide
CID 119849960
2-amino-N-[3-(diethylamino)-5-methylhexyl]benzamide
CID 70551962
N-[(2R)-2-(diethylamino)-3-phenylpropyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 30902992
3-[[2-(diethylamino)-3-phenylpropyl]carbamoylamino]-N,2-dimethylbenzamide
CID 86988480
2-amino-N-(2-hydroxypropyl)benzamide
CID 12562298
N-[2-(diethylamino)-3-phenylpropyl]-5-ethyl-1-(6-methoxypyridazin-3-yl)pyrazole-4-carboxamide
CID 46482900

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(diethylamino)-3-phenylpropyl]benzamide?
The IUPAC name of 2-amino-N-[2-(diethylamino)-3-phenylpropyl]benzamide (CID 119946555) is 2-amino-N-[2-(diethylamino)-3-phenylpropyl]benzamide.
What is the SMILES notation for 2-amino-N-[2-(diethylamino)-3-phenylpropyl]benzamide?
The canonical SMILES for 2-amino-N-[2-(diethylamino)-3-phenylpropyl]benzamide is CCN(CC)C(CNC(=O)c1ccccc1N)Cc1ccccc1.
What is the InChIKey of 2-amino-N-[2-(diethylamino)-3-phenylpropyl]benzamide?
The InChIKey is CUTVIJLPPGYXFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O/c1-3-23(4-2)17(14-16-10-6-5-7-11-16)15-22-20(24)18-12-8-9-13-19(18)21/h5-13,17H,3-4,14-15,21H2,1-2H3,(H,22,24).
What are the key properties of 2-amino-N-[2-(diethylamino)-3-phenylpropyl]benzamide?
2-amino-N-[2-(diethylamino)-3-phenylpropyl]benzamide has a molecular weight of 325.46 g/mol, XLogP of 2.95, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(diethylamino)-3-phenylpropyl]benzamide is sourced from PubChem (CID 119946555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).