3-[methyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]-N-phenylpropanamide

C20H24N2O — CID 46683151

IUPAC3-[methyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]-N-phenylpropanamide
SMILESCN(CCC(=O)Nc1ccccc1)C1CCCc2ccccc21
InChIInChI=1S/C20H24N2O/c1-22(15-14-20(23)21-17-10-3-2-4-11-17)19-13-7-9-16-8-5-6-12-18(16)19/h2-6,8,10-12,19H,7,9,13-15H2,1H3,(H,21,23)
InChIKeyMFXIOHKEYFZHPX-UHFFFAOYSA-N
MW308.43 g/mol
LogP4.02
Rot. Bonds5

About 3-[methyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]-N-phenylpropanamide

3-[methyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]-N-phenylpropanamide (PubChem CID 46683151) has the molecular formula C20H24N2O and a molecular weight of 308.43 g/mol. Its IUPAC name is 3-[methyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]-N-phenylpropanamide.

Molecular Properties

Compound Name3-[methyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]-N-phenylpropanamide
PubChem CID46683151
Molecular FormulaC20H24N2O
Molecular Weight308.43 g/mol
Exact Mass308.19
IUPAC Name3-[methyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]-N-phenylpropanamide
SMILESCN(CCC(=O)Nc1ccccc1)C1CCCc2ccccc21
InChIInChI=1S/C20H24N2O/c1-22(15-14-20(23)21-17-10-3-2-4-11-17)19-13-7-9-16-8-5-6-12-18(16)19/h2-6,8,10-12,19H,7,9,13-15H2,1H3,(H,21,23)
InChIKeyMFXIOHKEYFZHPX-UHFFFAOYSA-N
XLogP4.02
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[methyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-N-(phenylcarbamoyl)acetamide
CID 8680982
N-(4-acetamidophenyl)-2-[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetamide
CID 9261093
N,N-dimethyl-4-[[2-[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetyl]amino]benzamide
CID 9260477
2-[methyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetic acid
CID 118026509
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-[methyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]propanamide
CID 9036031
2-[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-N-(4-nitrophenyl)acetamide
CID 9261119
N-(4-fluorophenyl)-2-[methyl-[2-[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-2-oxoethyl]amino]acetamide
CID 9348216
N-(4-fluorophenyl)-2-[methyl-[2-[methyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-2-oxoethyl]amino]acetamide
CID 9348212
N-[4-(diethylsulfamoyl)phenyl]-2-[methyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetamide
CID 9260706
N-(2,6-dimethylphenyl)-2-[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetamide
CID 9260596
3-[(3-anilino-3-oxopropyl)-methylamino]propanoic acid
CID 60987692
methyl 5-[[(1S)-2,3-dihydro-1H-inden-1-yl]-methylamino]pentanoate
CID 100664309

Frequently Asked Questions

What is the IUPAC name of 3-[methyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]-N-phenylpropanamide?
The IUPAC name of 3-[methyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]-N-phenylpropanamide (CID 46683151) is 3-[methyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]-N-phenylpropanamide.
What is the SMILES notation for 3-[methyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]-N-phenylpropanamide?
The canonical SMILES for 3-[methyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]-N-phenylpropanamide is CN(CCC(=O)Nc1ccccc1)C1CCCc2ccccc21.
What is the InChIKey of 3-[methyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]-N-phenylpropanamide?
The InChIKey is MFXIOHKEYFZHPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O/c1-22(15-14-20(23)21-17-10-3-2-4-11-17)19-13-7-9-16-8-5-6-12-18(16)19/h2-6,8,10-12,19H,7,9,13-15H2,1H3,(H,21,23).
What are the key properties of 3-[methyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]-N-phenylpropanamide?
3-[methyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]-N-phenylpropanamide has a molecular weight of 308.43 g/mol, XLogP of 4.02, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]-N-phenylpropanamide is sourced from PubChem (CID 46683151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).