2-ethylnaphthalene;methylcyclohexane;N-methyl-N-pentyl-2-phenylacetamide

C33H47NO — CID 158688887

IUPAC2-ethylnaphthalene;methylcyclohexane;N-methyl-N-pentyl-2-phenylacetamide
SMILESCC1CCCCC1.CCCCCN(C)C(=O)Cc1ccccc1.CCc1ccc2ccccc2c1
InChIInChI=1S/C14H21NO.C12H12.C7H14/c1-3-4-8-11-15(2)14(16)12-13-9-6-5-7-10-13;1-2-10-7-8-11-5-3-4-6-12(11)9-10;1-7-5-3-2-4-6-7/h5-7,9-10H,3-4,8,11-12H2,1-2H3;3-9H,2H2,1H3;7H,2-6H2,1H3
InChIKeyIGBYMLTWSPDRAM-UHFFFAOYSA-N
MW473.75 g/mol
LogP8.87
Rot. Bonds7

About 2-ethylnaphthalene;methylcyclohexane;N-methyl-N-pentyl-2-phenylacetamide

2-ethylnaphthalene;methylcyclohexane;N-methyl-N-pentyl-2-phenylacetamide (PubChem CID 158688887) has the molecular formula C33H47NO and a molecular weight of 473.75 g/mol. Its IUPAC name is 2-ethylnaphthalene;methylcyclohexane;N-methyl-N-pentyl-2-phenylacetamide.

Molecular Properties

Compound Name2-ethylnaphthalene;methylcyclohexane;N-methyl-N-pentyl-2-phenylacetamide
PubChem CID158688887
Molecular FormulaC33H47NO
Molecular Weight473.75 g/mol
Exact Mass473.37
IUPAC Name2-ethylnaphthalene;methylcyclohexane;N-methyl-N-pentyl-2-phenylacetamide
SMILESCC1CCCCC1.CCCCCN(C)C(=O)Cc1ccccc1.CCc1ccc2ccccc2c1
InChIInChI=1S/C14H21NO.C12H12.C7H14/c1-3-4-8-11-15(2)14(16)12-13-9-6-5-7-10-13;1-2-10-7-8-11-5-3-4-6-12(11)9-10;1-7-5-3-2-4-6-7/h5-7,9-10H,3-4,8,11-12H2,1-2H3;3-9H,2H2,1H3;7H,2-6H2,1H3
InChIKeyIGBYMLTWSPDRAM-UHFFFAOYSA-N
XLogP8.87
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.75
LogP ≤ 58.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-ethylnaphthalene;methylcyclohexane;N-methyl-N-pentyl-2-phenylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethylcyclohexane;2-ethylnaphthalene;N-methyl-N-pentyl-2-phenylacetamide
CID 159686048
2-[methyl-(2-naphthalen-2-ylacetyl)amino]acetic acid
CID 18071237
N-(2-aminoethyl)-N-methyl-2-naphthalen-2-ylacetamide
CID 55149469
N-(2-bromoethyl)-N-methyl-2-naphthalen-2-ylacetamide
CID 80658951
2-(2,3-dihydro-1H-inden-5-yl)-N-methyl-N-(4-phenylbutyl)acetamide
CID 112837369
1-[methyl-(4-methylcyclohexyl)amino]-3-phenylpropan-2-one
CID 61437237
N-methyl-2-phenyl-N-(2-piperidin-2-ylethyl)acetamide
CID 43187176
methyl 3-[methyl-(2-naphthalen-2-ylacetyl)amino]propanoate
CID 61031185
1-cyclooctyl-2-naphthalen-2-ylethanone
CID 65018574
ethane;2-ethylnaphthalene
CID 90684887
N-butyl-N-methyl-2-[(2R)-1-(naphthalen-2-ylmethyl)-3-oxopiperazin-2-yl]acetamide
CID 95710109
N-butyl-2-(3,4-dihydroxyphenyl)-N-methylacetamide
CID 113199070

Frequently Asked Questions

What is the IUPAC name of 2-ethylnaphthalene;methylcyclohexane;N-methyl-N-pentyl-2-phenylacetamide?
The IUPAC name of 2-ethylnaphthalene;methylcyclohexane;N-methyl-N-pentyl-2-phenylacetamide (CID 158688887) is 2-ethylnaphthalene;methylcyclohexane;N-methyl-N-pentyl-2-phenylacetamide.
What is the SMILES notation for 2-ethylnaphthalene;methylcyclohexane;N-methyl-N-pentyl-2-phenylacetamide?
The canonical SMILES for 2-ethylnaphthalene;methylcyclohexane;N-methyl-N-pentyl-2-phenylacetamide is CC1CCCCC1.CCCCCN(C)C(=O)Cc1ccccc1.CCc1ccc2ccccc2c1.
What is the InChIKey of 2-ethylnaphthalene;methylcyclohexane;N-methyl-N-pentyl-2-phenylacetamide?
The InChIKey is IGBYMLTWSPDRAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO.C12H12.C7H14/c1-3-4-8-11-15(2)14(16)12-13-9-6-5-7-10-13;1-2-10-7-8-11-5-3-4-6-12(11)9-10;1-7-5-3-2-4-6-7/h5-7,9-10H,3-4,8,11-12H2,1-2H3;3-9H,2H2,1H3;7H,2-6H2,1H3.
What are the key properties of 2-ethylnaphthalene;methylcyclohexane;N-methyl-N-pentyl-2-phenylacetamide?
2-ethylnaphthalene;methylcyclohexane;N-methyl-N-pentyl-2-phenylacetamide has a molecular weight of 473.75 g/mol, XLogP of 8.87, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylnaphthalene;methylcyclohexane;N-methyl-N-pentyl-2-phenylacetamide is sourced from PubChem (CID 158688887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).