N-[(1S)-1-methyl-3,4-dihydro-2H-naphthalen-1-yl]-2-(4-methylphenyl)acetamide

C20H23NO — CID 52525290

IUPACN-[(1S)-1-methyl-3,4-dihydro-2H-naphthalen-1-yl]-2-(4-methylphenyl)acetamide
SMILESCc1ccc(CC(=O)N[C@@]2(C)CCCc3ccccc32)cc1
InChIInChI=1S/C20H23NO/c1-15-9-11-16(12-10-15)14-19(22)21-20(2)13-5-7-17-6-3-4-8-18(17)20/h3-4,6,8-12H,5,7,13-14H2,1-2H3,(H,21,22)/t20-/m0/s1
InChIKeyWLDWWIZLLPNATP-FQEVSTJZSA-N
MW293.41 g/mol
LogP3.91
Rot. Bonds3

About N-[(1S)-1-methyl-3,4-dihydro-2H-naphthalen-1-yl]-2-(4-methylphenyl)acetamide

N-[(1S)-1-methyl-3,4-dihydro-2H-naphthalen-1-yl]-2-(4-methylphenyl)acetamide (PubChem CID 52525290) has the molecular formula C20H23NO and a molecular weight of 293.41 g/mol. Its IUPAC name is N-[(1S)-1-methyl-3,4-dihydro-2H-naphthalen-1-yl]-2-(4-methylphenyl)acetamide.

Molecular Properties

Compound NameN-[(1S)-1-methyl-3,4-dihydro-2H-naphthalen-1-yl]-2-(4-methylphenyl)acetamide
PubChem CID52525290
Molecular FormulaC20H23NO
Molecular Weight293.41 g/mol
Exact Mass293.18
IUPAC NameN-[(1S)-1-methyl-3,4-dihydro-2H-naphthalen-1-yl]-2-(4-methylphenyl)acetamide
SMILESCc1ccc(CC(=O)N[C@@]2(C)CCCc3ccccc32)cc1
InChIInChI=1S/C20H23NO/c1-15-9-11-16(12-10-15)14-19(22)21-20(2)13-5-7-17-6-3-4-8-18(17)20/h3-4,6,8-12H,5,7,13-14H2,1-2H3,(H,21,22)/t20-/m0/s1
InChIKeyWLDWWIZLLPNATP-FQEVSTJZSA-N
XLogP3.91
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-methyl-3,4-dihydro-2H-naphthalen-1-yl]-2-(4-methylphenyl)acetamide?
The IUPAC name of N-[(1S)-1-methyl-3,4-dihydro-2H-naphthalen-1-yl]-2-(4-methylphenyl)acetamide (CID 52525290) is N-[(1S)-1-methyl-3,4-dihydro-2H-naphthalen-1-yl]-2-(4-methylphenyl)acetamide.
What is the SMILES notation for N-[(1S)-1-methyl-3,4-dihydro-2H-naphthalen-1-yl]-2-(4-methylphenyl)acetamide?
The canonical SMILES for N-[(1S)-1-methyl-3,4-dihydro-2H-naphthalen-1-yl]-2-(4-methylphenyl)acetamide is Cc1ccc(CC(=O)N[C@@]2(C)CCCc3ccccc32)cc1.
What is the InChIKey of N-[(1S)-1-methyl-3,4-dihydro-2H-naphthalen-1-yl]-2-(4-methylphenyl)acetamide?
The InChIKey is WLDWWIZLLPNATP-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H23NO/c1-15-9-11-16(12-10-15)14-19(22)21-20(2)13-5-7-17-6-3-4-8-18(17)20/h3-4,6,8-12H,5,7,13-14H2,1-2H3,(H,21,22)/t20-/m0/s1.
What are the key properties of N-[(1S)-1-methyl-3,4-dihydro-2H-naphthalen-1-yl]-2-(4-methylphenyl)acetamide?
N-[(1S)-1-methyl-3,4-dihydro-2H-naphthalen-1-yl]-2-(4-methylphenyl)acetamide has a molecular weight of 293.41 g/mol, XLogP of 3.91, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-methyl-3,4-dihydro-2H-naphthalen-1-yl]-2-(4-methylphenyl)acetamide is sourced from PubChem (CID 52525290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).