2-(hexadecylamino)-N-(4-propoxyphenyl)acetamide

C27H48N2O2 — CID 54808874

IUPAC2-(hexadecylamino)-N-(4-propoxyphenyl)acetamide
SMILESCCCCCCCCCCCCCCCCNCC(=O)Nc1ccc(OCCC)cc1
InChIInChI=1S/C27H48N2O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-22-28-24-27(30)29-25-18-20-26(21-19-25)31-23-4-2/h18-21,28H,3-17,22-24H2,1-2H3,(H,29,30)
InChIKeyBXRFWVHOIMDHGN-UHFFFAOYSA-N
MW432.69 g/mol
LogP7.48
Rot. Bonds21

About 2-(hexadecylamino)-N-(4-propoxyphenyl)acetamide

2-(hexadecylamino)-N-(4-propoxyphenyl)acetamide (PubChem CID 54808874) has the molecular formula C27H48N2O2 and a molecular weight of 432.69 g/mol. Its IUPAC name is 2-(hexadecylamino)-N-(4-propoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(hexadecylamino)-N-(4-propoxyphenyl)acetamide
PubChem CID54808874
Molecular FormulaC27H48N2O2
Molecular Weight432.69 g/mol
Exact Mass432.37
IUPAC Name2-(hexadecylamino)-N-(4-propoxyphenyl)acetamide
SMILESCCCCCCCCCCCCCCCCNCC(=O)Nc1ccc(OCCC)cc1
InChIInChI=1S/C27H48N2O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-22-28-24-27(30)29-25-18-20-26(21-19-25)31-23-4-2/h18-21,28H,3-17,22-24H2,1-2H3,(H,29,30)
InChIKeyBXRFWVHOIMDHGN-UHFFFAOYSA-N
XLogP7.48
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds21
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.69
LogP ≤ 57.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(hexadecylamino)-N-[4-(2-methoxyethoxy)phenyl]acetamide
CID 54808989
2-(ethylamino)-N-(4-hexoxyphenyl)acetamide
CID 54821037
2-(heptylamino)-N-(4-methoxyphenyl)acetamide
CID 54814691
N-(4-butoxyphenyl)-2-(ethylamino)acetamide
CID 54821038
N-(4-heptoxyphenyl)-2-(prop-2-enylamino)acetamide
CID 54818376
N-(4-methylphenyl)-2-(pentylamino)acetamide
CID 28569144
N-(4-butoxyphenyl)-2-(2-phenylethylamino)acetamide
CID 54815208
N-(4-fluorophenyl)-2-(octylamino)acetamide
CID 78914389
2-(methylamino)-N-(4-propoxyphenyl)acetamide
CID 54820943
2-(4-propoxyanilino)-N-(4-propoxyphenyl)acetamide
CID 54820383
2-(cyclopropylmethylamino)-N-(4-propoxyphenyl)acetamide
CID 55060300
N-(4-hydroxyphenyl)-N'-(4-octadecoxyphenyl)propanediamide
CID 18983779

Frequently Asked Questions

What is the IUPAC name of 2-(hexadecylamino)-N-(4-propoxyphenyl)acetamide?
The IUPAC name of 2-(hexadecylamino)-N-(4-propoxyphenyl)acetamide (CID 54808874) is 2-(hexadecylamino)-N-(4-propoxyphenyl)acetamide.
What is the SMILES notation for 2-(hexadecylamino)-N-(4-propoxyphenyl)acetamide?
The canonical SMILES for 2-(hexadecylamino)-N-(4-propoxyphenyl)acetamide is CCCCCCCCCCCCCCCCNCC(=O)Nc1ccc(OCCC)cc1.
What is the InChIKey of 2-(hexadecylamino)-N-(4-propoxyphenyl)acetamide?
The InChIKey is BXRFWVHOIMDHGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H48N2O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-22-28-24-27(30)29-25-18-20-26(21-19-25)31-23-4-2/h18-21,28H,3-17,22-24H2,1-2H3,(H,29,30).
What are the key properties of 2-(hexadecylamino)-N-(4-propoxyphenyl)acetamide?
2-(hexadecylamino)-N-(4-propoxyphenyl)acetamide has a molecular weight of 432.69 g/mol, XLogP of 7.48, 21 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hexadecylamino)-N-(4-propoxyphenyl)acetamide is sourced from PubChem (CID 54808874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).