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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Related Compounds

3,3-dimethyl-N-[(1S)-1-methyl-2,3-dihydroinden-1-yl]butanamide
CID 122550804
N-[(1S)-1-methyl-3,4-dihydro-2H-naphthalen-1-yl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 97314752
1-[[2-(4-methylphenyl)acetyl]amino]cycloheptane-1-carboxylic acid
CID 43341572
2,2-dichloro-N-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]-1-methylcyclopropane-1-carboxamide
CID 111110680
propan-2-yl N-[(1S)-1-methyl-2,3-dihydroinden-1-yl]carbamate
CID 122550821
benzyl N-(1,6-dimethyl-2,3-dihydroinden-1-yl)carbamate
CID 145156063
1-methyl-N-[3-(methylamino)propyl]-3,4-dihydro-2H-naphthalene-1-carboxamide
CID 119429829
1-(2-hydroxypropyl)-3,4-dihydro-2H-naphthalene-1-carboxylic acid
CID 79425052
5-(4-methylphenyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-amine
CID 54919324
5-methyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol
CID 15751789
(1R)-N-hydroxy-1-methyl-2,3-dihydroindene-1-carboxamide
CID 129027598
2-(4-methylphenyl)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide
CID 127120578

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).