N-(4-butoxyphenyl)-2-(2-phenylethylamino)acetamide

C20H26N2O2 — CID 54815208

IUPACN-(4-butoxyphenyl)-2-(2-phenylethylamino)acetamide
SMILESCCCCOc1ccc(NC(=O)CNCCc2ccccc2)cc1
InChIInChI=1S/C20H26N2O2/c1-2-3-15-24-19-11-9-18(10-12-19)22-20(23)16-21-14-13-17-7-5-4-6-8-17/h4-12,21H,2-3,13-16H2,1H3,(H,22,23)
InChIKeyJNBLSXLFYFYWTQ-UHFFFAOYSA-N
MW326.44 g/mol
LogP3.64
Rot. Bonds10

About N-(4-butoxyphenyl)-2-(2-phenylethylamino)acetamide

N-(4-butoxyphenyl)-2-(2-phenylethylamino)acetamide (PubChem CID 54815208) has the molecular formula C20H26N2O2 and a molecular weight of 326.44 g/mol. Its IUPAC name is N-(4-butoxyphenyl)-2-(2-phenylethylamino)acetamide.

Molecular Properties

Compound NameN-(4-butoxyphenyl)-2-(2-phenylethylamino)acetamide
PubChem CID54815208
Molecular FormulaC20H26N2O2
Molecular Weight326.44 g/mol
Exact Mass326.20
IUPAC NameN-(4-butoxyphenyl)-2-(2-phenylethylamino)acetamide
SMILESCCCCOc1ccc(NC(=O)CNCCc2ccccc2)cc1
InChIInChI=1S/C20H26N2O2/c1-2-3-15-24-19-11-9-18(10-12-19)22-20(23)16-21-14-13-17-7-5-4-6-8-17/h4-12,21H,2-3,13-16H2,1H3,(H,22,23)
InChIKeyJNBLSXLFYFYWTQ-UHFFFAOYSA-N
XLogP3.64
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 53.64
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

N-[4-(2-phenylethoxy)phenyl]-2-(propylamino)acetamide
CID 54818682
N-(4-hexoxyphenyl)-2-[4-(3-phenylpropoxy)anilino]acetamide
CID 54825486
N-(4-butoxyphenyl)-2-(ethylamino)acetamide
CID 54821038
2-(hexadecylamino)-N-(4-propoxyphenyl)acetamide
CID 54808874
N-(4-butan-2-yloxyphenyl)-2-(2-phenylethylamino)acetamide
CID 54814878
N-[4-[[2-(4-heptoxyanilino)-2-oxoethyl]amino]phenyl]-3-phenylpropanamide
CID 54839712
butyl 2-(2-phenylethylamino)acetate
CID 60679601
2-(hexadecylamino)-N-[4-(2-methoxyethoxy)phenyl]acetamide
CID 54808989
N-[4-[[2-(heptylamino)acetyl]amino]phenyl]-3-phenylpropanamide
CID 54814556
N-butyl-4-[[2-[4-(3-phenylpropoxy)anilino]acetyl]amino]benzamide
CID 54825518
2-(ethylamino)-N-(4-hexoxyphenyl)acetamide
CID 54821037
N-(4-acetamidophenyl)-2-[4-(3-phenylpropoxy)anilino]acetamide
CID 54825334

Frequently Asked Questions

What is the IUPAC name of N-(4-butoxyphenyl)-2-(2-phenylethylamino)acetamide?
The IUPAC name of N-(4-butoxyphenyl)-2-(2-phenylethylamino)acetamide (CID 54815208) is N-(4-butoxyphenyl)-2-(2-phenylethylamino)acetamide.
What is the SMILES notation for N-(4-butoxyphenyl)-2-(2-phenylethylamino)acetamide?
The canonical SMILES for N-(4-butoxyphenyl)-2-(2-phenylethylamino)acetamide is CCCCOc1ccc(NC(=O)CNCCc2ccccc2)cc1.
What is the InChIKey of N-(4-butoxyphenyl)-2-(2-phenylethylamino)acetamide?
The InChIKey is JNBLSXLFYFYWTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2/c1-2-3-15-24-19-11-9-18(10-12-19)22-20(23)16-21-14-13-17-7-5-4-6-8-17/h4-12,21H,2-3,13-16H2,1H3,(H,22,23).
What are the key properties of N-(4-butoxyphenyl)-2-(2-phenylethylamino)acetamide?
N-(4-butoxyphenyl)-2-(2-phenylethylamino)acetamide has a molecular weight of 326.44 g/mol, XLogP of 3.64, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butoxyphenyl)-2-(2-phenylethylamino)acetamide is sourced from PubChem (CID 54815208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).