2-(hexadecylamino)-N-naphthalen-2-ylacetamide

C28H44N2O — CID 54808912

IUPAC2-(hexadecylamino)-N-naphthalen-2-ylacetamide
SMILESCCCCCCCCCCCCCCCCNCC(=O)Nc1ccc2ccccc2c1
InChIInChI=1S/C28H44N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-22-29-24-28(31)30-27-21-20-25-18-15-16-19-26(25)23-27/h15-16,18-21,23,29H,2-14,17,22,24H2,1H3,(H,30,31)
InChIKeyOZEPAEXHDKMOJX-UHFFFAOYSA-N
MW424.67 g/mol
LogP7.85
Rot. Bonds18

About 2-(hexadecylamino)-N-naphthalen-2-ylacetamide

2-(hexadecylamino)-N-naphthalen-2-ylacetamide (PubChem CID 54808912) has the molecular formula C28H44N2O and a molecular weight of 424.67 g/mol. Its IUPAC name is 2-(hexadecylamino)-N-naphthalen-2-ylacetamide.

Molecular Properties

Compound Name2-(hexadecylamino)-N-naphthalen-2-ylacetamide
PubChem CID54808912
Molecular FormulaC28H44N2O
Molecular Weight424.67 g/mol
Exact Mass424.35
IUPAC Name2-(hexadecylamino)-N-naphthalen-2-ylacetamide
SMILESCCCCCCCCCCCCCCCCNCC(=O)Nc1ccc2ccccc2c1
InChIInChI=1S/C28H44N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-22-29-24-28(31)30-27-21-20-25-18-15-16-19-26(25)23-27/h15-16,18-21,23,29H,2-14,17,22,24H2,1H3,(H,30,31)
InChIKeyOZEPAEXHDKMOJX-UHFFFAOYSA-N
XLogP7.85
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds18
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.67
LogP ≤ 57.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(heptylamino)-N-(4-methoxyphenyl)acetamide
CID 54814691
N-(3-chlorophenyl)-2-(hexadecylamino)acetamide
CID 54809142
N-(3-chlorophenyl)-2-(octylamino)acetamide
CID 78914396
N-(3-fluorophenyl)-2-(octylamino)acetamide
CID 78914397
N-(4-methylphenyl)-2-(pentylamino)acetamide
CID 28569144
N-(4-fluorophenyl)-2-(octylamino)acetamide
CID 78914389
2-(butylamino)-N-(3,4-dimethylphenyl)acetamide
CID 54815382
N-(4-bromo-3-methylphenyl)-2-(pentylamino)acetamide
CID 109005999
N-[4-[[2-(heptylamino)acetyl]amino]phenyl]-3-phenylpropanamide
CID 54814556
2-(hexadecylamino)-N-(4-propoxyphenyl)acetamide
CID 54808874
N-(4-fluorophenyl)-2-(pentylamino)acetamide
CID 28569105
2-(heptylamino)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 54814618

Frequently Asked Questions

What is the IUPAC name of 2-(hexadecylamino)-N-naphthalen-2-ylacetamide?
The IUPAC name of 2-(hexadecylamino)-N-naphthalen-2-ylacetamide (CID 54808912) is 2-(hexadecylamino)-N-naphthalen-2-ylacetamide.
What is the SMILES notation for 2-(hexadecylamino)-N-naphthalen-2-ylacetamide?
The canonical SMILES for 2-(hexadecylamino)-N-naphthalen-2-ylacetamide is CCCCCCCCCCCCCCCCNCC(=O)Nc1ccc2ccccc2c1.
What is the InChIKey of 2-(hexadecylamino)-N-naphthalen-2-ylacetamide?
The InChIKey is OZEPAEXHDKMOJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H44N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-22-29-24-28(31)30-27-21-20-25-18-15-16-19-26(25)23-27/h15-16,18-21,23,29H,2-14,17,22,24H2,1H3,(H,30,31).
What are the key properties of 2-(hexadecylamino)-N-naphthalen-2-ylacetamide?
2-(hexadecylamino)-N-naphthalen-2-ylacetamide has a molecular weight of 424.67 g/mol, XLogP of 7.85, 18 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hexadecylamino)-N-naphthalen-2-ylacetamide is sourced from PubChem (CID 54808912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).