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

C34H49NO — CID 159686048

IUPACethylcyclohexane;2-ethylnaphthalene;N-methyl-N-pentyl-2-phenylacetamide
SMILESCCC1CCCCC1.CCCCCN(C)C(=O)Cc1ccccc1.CCc1ccc2ccccc2c1
InChIInChI=1S/C14H21NO.C12H12.C8H16/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;1-2-8-6-4-3-5-7-8/h5-7,9-10H,3-4,8,11-12H2,1-2H3;3-9H,2H2,1H3;8H,2-7H2,1H3
InChIKeyMVUURHNKPIUGRD-UHFFFAOYSA-N
MW487.77 g/mol
LogP9.26
Rot. Bonds8

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

ethylcyclohexane;2-ethylnaphthalene;N-methyl-N-pentyl-2-phenylacetamide (PubChem CID 159686048) has the molecular formula C34H49NO and a molecular weight of 487.77 g/mol. Its IUPAC name is ethylcyclohexane;2-ethylnaphthalene;N-methyl-N-pentyl-2-phenylacetamide.

Molecular Properties

Compound Nameethylcyclohexane;2-ethylnaphthalene;N-methyl-N-pentyl-2-phenylacetamide
PubChem CID159686048
Molecular FormulaC34H49NO
Molecular Weight487.77 g/mol
Exact Mass487.38
IUPAC Nameethylcyclohexane;2-ethylnaphthalene;N-methyl-N-pentyl-2-phenylacetamide
SMILESCCC1CCCCC1.CCCCCN(C)C(=O)Cc1ccccc1.CCc1ccc2ccccc2c1
InChIInChI=1S/C14H21NO.C12H12.C8H16/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;1-2-8-6-4-3-5-7-8/h5-7,9-10H,3-4,8,11-12H2,1-2H3;3-9H,2H2,1H3;8H,2-7H2,1H3
InChIKeyMVUURHNKPIUGRD-UHFFFAOYSA-N
XLogP9.26
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.77
LogP ≤ 59.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-ethylnaphthalene;methylcyclohexane;N-methyl-N-pentyl-2-phenylacetamide
CID 158688887
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
1-cycloheptyl-3-naphthalen-2-ylpropan-2-one
CID 114458055
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CID 112837369
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
2-methyl-2-[methyl-(2-naphthalen-2-ylacetyl)amino]propanoic acid
CID 62817552
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CID 174407039
ethane;2-ethylnaphthalene
CID 90684887

Frequently Asked Questions

What is the IUPAC name of ethylcyclohexane;2-ethylnaphthalene;N-methyl-N-pentyl-2-phenylacetamide?
The IUPAC name of ethylcyclohexane;2-ethylnaphthalene;N-methyl-N-pentyl-2-phenylacetamide (CID 159686048) is ethylcyclohexane;2-ethylnaphthalene;N-methyl-N-pentyl-2-phenylacetamide.
What is the SMILES notation for ethylcyclohexane;2-ethylnaphthalene;N-methyl-N-pentyl-2-phenylacetamide?
The canonical SMILES for ethylcyclohexane;2-ethylnaphthalene;N-methyl-N-pentyl-2-phenylacetamide is CCC1CCCCC1.CCCCCN(C)C(=O)Cc1ccccc1.CCc1ccc2ccccc2c1.
What is the InChIKey of ethylcyclohexane;2-ethylnaphthalene;N-methyl-N-pentyl-2-phenylacetamide?
The InChIKey is MVUURHNKPIUGRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO.C12H12.C8H16/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;1-2-8-6-4-3-5-7-8/h5-7,9-10H,3-4,8,11-12H2,1-2H3;3-9H,2H2,1H3;8H,2-7H2,1H3.
What are the key properties of ethylcyclohexane;2-ethylnaphthalene;N-methyl-N-pentyl-2-phenylacetamide?
ethylcyclohexane;2-ethylnaphthalene;N-methyl-N-pentyl-2-phenylacetamide has a molecular weight of 487.77 g/mol, XLogP of 9.26, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethylcyclohexane;2-ethylnaphthalene;N-methyl-N-pentyl-2-phenylacetamide is sourced from PubChem (CID 159686048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).