acetamide;1-(3,4-dimethylphenyl)-1,2,3,4-tetrahydronaphthalene;ethane

C22H31NO — CID 142409210

IUPACacetamide;1-(3,4-dimethylphenyl)-1,2,3,4-tetrahydronaphthalene;ethane
SMILESCC.CC(N)=O.Cc1ccc(C2CCCc3ccccc32)cc1C
InChIInChI=1S/C18H20.C2H5NO.C2H6/c1-13-10-11-16(12-14(13)2)18-9-5-7-15-6-3-4-8-17(15)18;1-2(3)4;1-2/h3-4,6,8,10-12,18H,5,7,9H2,1-2H3;1H3,(H2,3,4);1-2H3
InChIKeyLAYASIJNMAUSRY-UHFFFAOYSA-N
MW325.50 g/mol
LogP5.29
Rot. Bonds1

About acetamide;1-(3,4-dimethylphenyl)-1,2,3,4-tetrahydronaphthalene;ethane

acetamide;1-(3,4-dimethylphenyl)-1,2,3,4-tetrahydronaphthalene;ethane (PubChem CID 142409210) has the molecular formula C22H31NO and a molecular weight of 325.50 g/mol. Its IUPAC name is acetamide;1-(3,4-dimethylphenyl)-1,2,3,4-tetrahydronaphthalene;ethane.

Molecular Properties

Compound Nameacetamide;1-(3,4-dimethylphenyl)-1,2,3,4-tetrahydronaphthalene;ethane
PubChem CID142409210
Molecular FormulaC22H31NO
Molecular Weight325.50 g/mol
Exact Mass325.24
IUPAC Nameacetamide;1-(3,4-dimethylphenyl)-1,2,3,4-tetrahydronaphthalene;ethane
SMILESCC.CC(N)=O.Cc1ccc(C2CCCc3ccccc32)cc1C
InChIInChI=1S/C18H20.C2H5NO.C2H6/c1-13-10-11-16(12-14(13)2)18-9-5-7-15-6-3-4-8-17(15)18;1-2(3)4;1-2/h3-4,6,8,10-12,18H,5,7,9H2,1-2H3;1H3,(H2,3,4);1-2H3
InChIKeyLAYASIJNMAUSRY-UHFFFAOYSA-N
XLogP5.29
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.50
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-methyl-4-(1,2,3,4-tetrahydronaphthalen-1-yl)phenol
CID 18930041
1-(4-methoxy-3-methylphenyl)-1,2,3,4-tetrahydronaphthalene
CID 54031428
1-(4-methylphenyl)-1,2,3,4-tetrahydronaphthalene
CID 159713815
4-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]phenol
CID 93476534
1-(3-bromophenyl)-1,2,3,4-tetrahydronaphthalene
CID 22613084
2-methyl-6-(1,2,3,4-tetrahydronaphthalen-1-yl)phenol
CID 13136042
ethyl 2-(hydroxymethyl)-1-methyl-6-(1,2,3,4-tetrahydronaphthalen-1-yl)indole-3-carboxylate
CID 170073822
1-(2,3-dihydro-1H-inden-5-yl)-2,3-dihydro-1H-indene
CID 173404050
3-methyl-2,4-dioxo-4-[4-(1,2,3,4-tetrahydronaphthalen-1-yl)phenyl]butanoic acid
CID 20535220
5-amino-2-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 62304912
6-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidine-4-carboxylic acid
CID 63250465
3-(3,4-dimethylphenyl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 100683602

Frequently Asked Questions

What is the IUPAC name of acetamide;1-(3,4-dimethylphenyl)-1,2,3,4-tetrahydronaphthalene;ethane?
The IUPAC name of acetamide;1-(3,4-dimethylphenyl)-1,2,3,4-tetrahydronaphthalene;ethane (CID 142409210) is acetamide;1-(3,4-dimethylphenyl)-1,2,3,4-tetrahydronaphthalene;ethane.
What is the SMILES notation for acetamide;1-(3,4-dimethylphenyl)-1,2,3,4-tetrahydronaphthalene;ethane?
The canonical SMILES for acetamide;1-(3,4-dimethylphenyl)-1,2,3,4-tetrahydronaphthalene;ethane is CC.CC(N)=O.Cc1ccc(C2CCCc3ccccc32)cc1C.
What is the InChIKey of acetamide;1-(3,4-dimethylphenyl)-1,2,3,4-tetrahydronaphthalene;ethane?
The InChIKey is LAYASIJNMAUSRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20.C2H5NO.C2H6/c1-13-10-11-16(12-14(13)2)18-9-5-7-15-6-3-4-8-17(15)18;1-2(3)4;1-2/h3-4,6,8,10-12,18H,5,7,9H2,1-2H3;1H3,(H2,3,4);1-2H3.
What are the key properties of acetamide;1-(3,4-dimethylphenyl)-1,2,3,4-tetrahydronaphthalene;ethane?
acetamide;1-(3,4-dimethylphenyl)-1,2,3,4-tetrahydronaphthalene;ethane has a molecular weight of 325.50 g/mol, XLogP of 5.29, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for acetamide;1-(3,4-dimethylphenyl)-1,2,3,4-tetrahydronaphthalene;ethane is sourced from PubChem (CID 142409210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).