2-methyl-N-[4-methyl-3-(naphthalen-2-ylmethylamino)phenyl]propanamide

C22H24N2O — CID 112839413

IUPAC2-methyl-N-[4-methyl-3-(naphthalen-2-ylmethylamino)phenyl]propanamide
SMILESCc1ccc(NC(=O)C(C)C)cc1NCc1ccc2ccccc2c1
InChIInChI=1S/C22H24N2O/c1-15(2)22(25)24-20-11-8-16(3)21(13-20)23-14-17-9-10-18-6-4-5-7-19(18)12-17/h4-13,15,23H,14H2,1-3H3,(H,24,25)
InChIKeyUBLCKMABLZNHSF-UHFFFAOYSA-N
MW332.45 g/mol
LogP5.35
Rot. Bonds5

About 2-methyl-N-[4-methyl-3-(naphthalen-2-ylmethylamino)phenyl]propanamide

2-methyl-N-[4-methyl-3-(naphthalen-2-ylmethylamino)phenyl]propanamide (PubChem CID 112839413) has the molecular formula C22H24N2O and a molecular weight of 332.45 g/mol. Its IUPAC name is 2-methyl-N-[4-methyl-3-(naphthalen-2-ylmethylamino)phenyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[4-methyl-3-(naphthalen-2-ylmethylamino)phenyl]propanamide
PubChem CID112839413
Molecular FormulaC22H24N2O
Molecular Weight332.45 g/mol
Exact Mass332.19
IUPAC Name2-methyl-N-[4-methyl-3-(naphthalen-2-ylmethylamino)phenyl]propanamide
SMILESCc1ccc(NC(=O)C(C)C)cc1NCc1ccc2ccccc2c1
InChIInChI=1S/C22H24N2O/c1-15(2)22(25)24-20-11-8-16(3)21(13-20)23-14-17-9-10-18-6-4-5-7-19(18)12-17/h4-13,15,23H,14H2,1-3H3,(H,24,25)
InChIKeyUBLCKMABLZNHSF-UHFFFAOYSA-N
XLogP5.35
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.45
LogP ≤ 55.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-N-[4-methyl-3-(2-phenylethylamino)phenyl]propanamide
CID 112839414
2-methyl-N-[4-methyl-3-[[2-[(2-methylphenyl)methylamino]-2-oxoethyl]amino]phenyl]propanamide
CID 60537469
N-[2-methyl-5-(2-methylpropanoylamino)phenyl]-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide
CID 46466062
N-[3-[[2-(4-methoxyphenyl)acetyl]amino]-4-methylphenyl]-2-methylpropanamide
CID 46475613
2-methyl-N-[4-methyl-3-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methylamino]phenyl]propanamide
CID 55894238
N-[3-[(3,4-dimethylphenyl)methylamino]-4-methylphenyl]acetamide
CID 43789839
N-[3-[[2-(2-fluoroanilino)-2-oxoethyl]amino]-4-methylphenyl]-2-methylpropanamide
CID 87029073
2-methyl-N-[4-methyl-3-(3-phenylpropanoylamino)phenyl]propanamide
CID 46485889
2-methyl-3-[4-(2-methylpropanoylamino)naphthalen-2-yl]-N-naphthalen-2-ylpropanamide
CID 166890298
N-[3-(3-aminopropanoylamino)-4-methylphenyl]-2-methylpropanamide
CID 82034485
N-[3-[(3-bromo-4-methylphenyl)methylamino]-4-methylphenyl]acetamide
CID 115876077
2-methyl-N-(2-naphthalen-2-ylethyl)propanamide
CID 118336690

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[4-methyl-3-(naphthalen-2-ylmethylamino)phenyl]propanamide?
The IUPAC name of 2-methyl-N-[4-methyl-3-(naphthalen-2-ylmethylamino)phenyl]propanamide (CID 112839413) is 2-methyl-N-[4-methyl-3-(naphthalen-2-ylmethylamino)phenyl]propanamide.
What is the SMILES notation for 2-methyl-N-[4-methyl-3-(naphthalen-2-ylmethylamino)phenyl]propanamide?
The canonical SMILES for 2-methyl-N-[4-methyl-3-(naphthalen-2-ylmethylamino)phenyl]propanamide is Cc1ccc(NC(=O)C(C)C)cc1NCc1ccc2ccccc2c1.
What is the InChIKey of 2-methyl-N-[4-methyl-3-(naphthalen-2-ylmethylamino)phenyl]propanamide?
The InChIKey is UBLCKMABLZNHSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O/c1-15(2)22(25)24-20-11-8-16(3)21(13-20)23-14-17-9-10-18-6-4-5-7-19(18)12-17/h4-13,15,23H,14H2,1-3H3,(H,24,25).
What are the key properties of 2-methyl-N-[4-methyl-3-(naphthalen-2-ylmethylamino)phenyl]propanamide?
2-methyl-N-[4-methyl-3-(naphthalen-2-ylmethylamino)phenyl]propanamide has a molecular weight of 332.45 g/mol, XLogP of 5.35, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[4-methyl-3-(naphthalen-2-ylmethylamino)phenyl]propanamide is sourced from PubChem (CID 112839413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).