5-amino-2-methyl-N-(1-naphthalen-1-ylpropan-2-yl)benzamide

C21H22N2O — CID 68562260

IUPAC5-amino-2-methyl-N-(1-naphthalen-1-ylpropan-2-yl)benzamide
SMILESCc1ccc(N)cc1C(=O)NC(C)Cc1cccc2ccccc12
InChIInChI=1S/C21H22N2O/c1-14-10-11-18(22)13-20(14)21(24)23-15(2)12-17-8-5-7-16-6-3-4-9-19(16)17/h3-11,13,15H,12,22H2,1-2H3,(H,23,24)
InChIKeyBXWPXLDOJPLSJF-UHFFFAOYSA-N
MW318.42 g/mol
LogP4.09
Rot. Bonds4

About 5-amino-2-methyl-N-(1-naphthalen-1-ylpropan-2-yl)benzamide

5-amino-2-methyl-N-(1-naphthalen-1-ylpropan-2-yl)benzamide (PubChem CID 68562260) has the molecular formula C21H22N2O and a molecular weight of 318.42 g/mol. Its IUPAC name is 5-amino-2-methyl-N-(1-naphthalen-1-ylpropan-2-yl)benzamide.

Molecular Properties

Compound Name5-amino-2-methyl-N-(1-naphthalen-1-ylpropan-2-yl)benzamide
PubChem CID68562260
Molecular FormulaC21H22N2O
Molecular Weight318.42 g/mol
Exact Mass318.17
IUPAC Name5-amino-2-methyl-N-(1-naphthalen-1-ylpropan-2-yl)benzamide
SMILESCc1ccc(N)cc1C(=O)NC(C)Cc1cccc2ccccc12
InChIInChI=1S/C21H22N2O/c1-14-10-11-18(22)13-20(14)21(24)23-15(2)12-17-8-5-7-16-6-3-4-9-19(16)17/h3-11,13,15H,12,22H2,1-2H3,(H,23,24)
InChIKeyBXWPXLDOJPLSJF-UHFFFAOYSA-N
XLogP4.09
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 54.09
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

2,4-diamino-N-[1-(2-methylphenyl)propan-2-yl]benzamide
CID 61104126
5-amino-N-(4-hydroxy-4-phenylbutan-2-yl)-2-methylbenzamide
CID 120636797
2-amino-N-[1-(2-methylphenyl)propan-2-yl]benzamide
CID 60933669
3-amino-2-methyl-N-[1-(2-methylphenyl)propan-2-yl]benzamide
CID 61104122
5-amino-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-2-methylbenzamide;hydrochloride
CID 120635010
2-amino-5-methyl-N-[1-(2-methylphenyl)propan-2-yl]benzamide
CID 62060793
5-amino-N-[1-(2-bromophenyl)ethyl]-2-methylbenzamide
CID 61291745
5-amino-2-(2-methylpropylamino)-N-(naphthalen-1-ylmethyl)benzamide
CID 163231497
5-amino-N-(1-cyclopropylethyl)-2-methylbenzamide
CID 61290779
2-[[2-(naphthalene-1-carbonylamino)-3-naphthalen-1-ylpropanoyl]amino]propanoic acid
CID 77473542
5-amino-2-methyl-N-(1-morpholin-4-ylpropan-2-yl)benzamide;dihydrochloride
CID 120642682
5-amino-2-(ethylamino)-N-[(1R)-1-naphthalen-1-ylethyl]benzamide
CID 163231886

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-methyl-N-(1-naphthalen-1-ylpropan-2-yl)benzamide?
The IUPAC name of 5-amino-2-methyl-N-(1-naphthalen-1-ylpropan-2-yl)benzamide (CID 68562260) is 5-amino-2-methyl-N-(1-naphthalen-1-ylpropan-2-yl)benzamide.
What is the SMILES notation for 5-amino-2-methyl-N-(1-naphthalen-1-ylpropan-2-yl)benzamide?
The canonical SMILES for 5-amino-2-methyl-N-(1-naphthalen-1-ylpropan-2-yl)benzamide is Cc1ccc(N)cc1C(=O)NC(C)Cc1cccc2ccccc12.
What is the InChIKey of 5-amino-2-methyl-N-(1-naphthalen-1-ylpropan-2-yl)benzamide?
The InChIKey is BXWPXLDOJPLSJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O/c1-14-10-11-18(22)13-20(14)21(24)23-15(2)12-17-8-5-7-16-6-3-4-9-19(16)17/h3-11,13,15H,12,22H2,1-2H3,(H,23,24).
What are the key properties of 5-amino-2-methyl-N-(1-naphthalen-1-ylpropan-2-yl)benzamide?
5-amino-2-methyl-N-(1-naphthalen-1-ylpropan-2-yl)benzamide has a molecular weight of 318.42 g/mol, XLogP of 4.09, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-methyl-N-(1-naphthalen-1-ylpropan-2-yl)benzamide is sourced from PubChem (CID 68562260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).