2-(hexadecylamino)-N-[4-(2-methoxyethoxy)phenyl]acetamide

C27H48N2O3 — CID 54808989

IUPAC2-(hexadecylamino)-N-[4-(2-methoxyethoxy)phenyl]acetamide
SMILESCCCCCCCCCCCCCCCCNCC(=O)Nc1ccc(OCCOC)cc1
InChIInChI=1S/C27H48N2O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-28-24-27(30)29-25-17-19-26(20-18-25)32-23-22-31-2/h17-20,28H,3-16,21-24H2,1-2H3,(H,29,30)
InChIKeyGOMIRSWNPKAICT-UHFFFAOYSA-N
MW448.69 g/mol
LogP6.72
Rot. Bonds22

About 2-(hexadecylamino)-N-[4-(2-methoxyethoxy)phenyl]acetamide

2-(hexadecylamino)-N-[4-(2-methoxyethoxy)phenyl]acetamide (PubChem CID 54808989) has the molecular formula C27H48N2O3 and a molecular weight of 448.69 g/mol. Its IUPAC name is 2-(hexadecylamino)-N-[4-(2-methoxyethoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-(hexadecylamino)-N-[4-(2-methoxyethoxy)phenyl]acetamide
PubChem CID54808989
Molecular FormulaC27H48N2O3
Molecular Weight448.69 g/mol
Exact Mass448.37
IUPAC Name2-(hexadecylamino)-N-[4-(2-methoxyethoxy)phenyl]acetamide
SMILESCCCCCCCCCCCCCCCCNCC(=O)Nc1ccc(OCCOC)cc1
InChIInChI=1S/C27H48N2O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-28-24-27(30)29-25-17-19-26(20-18-25)32-23-22-31-2/h17-20,28H,3-16,21-24H2,1-2H3,(H,29,30)
InChIKeyGOMIRSWNPKAICT-UHFFFAOYSA-N
XLogP6.72
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds22
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.69
LogP ≤ 56.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(hexadecylamino)-N-(4-propoxyphenyl)acetamide
CID 54808874
2-(heptylamino)-N-(4-methoxyphenyl)acetamide
CID 54814691
2-(ethylamino)-N-(4-hexoxyphenyl)acetamide
CID 54821037
N-(4-butoxyphenyl)-2-(ethylamino)acetamide
CID 54821038
N-(4-heptoxyphenyl)-2-(prop-2-enylamino)acetamide
CID 54818376
1-[4-(2-methoxyethoxy)phenyl]-3-pentylurea
CID 47202619
N-[4-(2-methoxyethoxy)phenyl]-2-(prop-2-enylamino)acetamide
CID 54818436
N-hexadecyl-2-[4-(2-methoxyethoxy)anilino]acetamide
CID 54822487
N-(4-methylphenyl)-2-(pentylamino)acetamide
CID 28569144
N-(4-heptoxyphenyl)-2-[3-(2-methoxyethoxy)anilino]acetamide
CID 54829489
N-(4-butoxyphenyl)-2-(2-phenylethylamino)acetamide
CID 54815208
N-(4-fluorophenyl)-2-(octylamino)acetamide
CID 78914389

Frequently Asked Questions

What is the IUPAC name of 2-(hexadecylamino)-N-[4-(2-methoxyethoxy)phenyl]acetamide?
The IUPAC name of 2-(hexadecylamino)-N-[4-(2-methoxyethoxy)phenyl]acetamide (CID 54808989) is 2-(hexadecylamino)-N-[4-(2-methoxyethoxy)phenyl]acetamide.
What is the SMILES notation for 2-(hexadecylamino)-N-[4-(2-methoxyethoxy)phenyl]acetamide?
The canonical SMILES for 2-(hexadecylamino)-N-[4-(2-methoxyethoxy)phenyl]acetamide is CCCCCCCCCCCCCCCCNCC(=O)Nc1ccc(OCCOC)cc1.
What is the InChIKey of 2-(hexadecylamino)-N-[4-(2-methoxyethoxy)phenyl]acetamide?
The InChIKey is GOMIRSWNPKAICT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H48N2O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-28-24-27(30)29-25-17-19-26(20-18-25)32-23-22-31-2/h17-20,28H,3-16,21-24H2,1-2H3,(H,29,30).
What are the key properties of 2-(hexadecylamino)-N-[4-(2-methoxyethoxy)phenyl]acetamide?
2-(hexadecylamino)-N-[4-(2-methoxyethoxy)phenyl]acetamide has a molecular weight of 448.69 g/mol, XLogP of 6.72, 22 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hexadecylamino)-N-[4-(2-methoxyethoxy)phenyl]acetamide is sourced from PubChem (CID 54808989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).