2-[4-[(2-pentoxyacetyl)amino]phenyl]-N-propan-2-ylacetamide

C18H28N2O3 — CID 86871791

IUPAC2-[4-[(2-pentoxyacetyl)amino]phenyl]-N-propan-2-ylacetamide
SMILESCCCCCOCC(=O)Nc1ccc(CC(=O)NC(C)C)cc1
InChIInChI=1S/C18H28N2O3/c1-4-5-6-11-23-13-18(22)20-16-9-7-15(8-10-16)12-17(21)19-14(2)3/h7-10,14H,4-6,11-13H2,1-3H3,(H,19,21)(H,20,22)
InChIKeyDYKLNKMOIIIRPH-UHFFFAOYSA-N
MW320.43 g/mol
LogP2.90
Rot. Bonds10

About 2-[4-[(2-pentoxyacetyl)amino]phenyl]-N-propan-2-ylacetamide

2-[4-[(2-pentoxyacetyl)amino]phenyl]-N-propan-2-ylacetamide (PubChem CID 86871791) has the molecular formula C18H28N2O3 and a molecular weight of 320.43 g/mol. Its IUPAC name is 2-[4-[(2-pentoxyacetyl)amino]phenyl]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[4-[(2-pentoxyacetyl)amino]phenyl]-N-propan-2-ylacetamide
PubChem CID86871791
Molecular FormulaC18H28N2O3
Molecular Weight320.43 g/mol
Exact Mass320.21
IUPAC Name2-[4-[(2-pentoxyacetyl)amino]phenyl]-N-propan-2-ylacetamide
SMILESCCCCCOCC(=O)Nc1ccc(CC(=O)NC(C)C)cc1
InChIInChI=1S/C18H28N2O3/c1-4-5-6-11-23-13-18(22)20-16-9-7-15(8-10-16)12-17(21)19-14(2)3/h7-10,14H,4-6,11-13H2,1-3H3,(H,19,21)(H,20,22)
InChIKeyDYKLNKMOIIIRPH-UHFFFAOYSA-N
XLogP2.90
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.43
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[4-[(2-pentoxyacetyl)amino]phenyl]-N-propan-2-ylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-(aminomethyl)phenyl]-2-pentoxyacetamide
CID 43275032
N-(4-cyanophenyl)-2-hexoxyacetamide
CID 29001744
N-(4-hexoxyphenyl)-2-(4-methoxyphenyl)acetamide
CID 4939326
3-amino-N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]butanamide
CID 119713096
2-[4-[[2-(3,4-dichlorophenoxy)acetyl]amino]phenyl]-N-propan-2-ylacetamide
CID 39683774
2-(2-methoxyethoxy)-N-(4-propylphenyl)acetamide
CID 103606707
3-[4-[(2-propoxyacetyl)amino]phenyl]butanoic acid
CID 107938328
2-[4-[[2-(2,4-dichlorophenoxy)acetyl]amino]phenyl]-N-propan-2-ylacetamide
CID 39680657
N-[4-[(cyclopropylamino)methyl]phenyl]-2-propoxyacetamide
CID 107938515
4-[[2-(4-hexoxyanilino)acetyl]amino]-N-propan-2-ylbenzamide
CID 54820861
2-(4-butan-2-ylphenoxy)-N-(4-heptoxyphenyl)acetamide
CID 4959333
2-[2-[2-(4-ethoxyanilino)-2-oxoethoxy]ethoxy]-N-(4-ethoxyphenyl)acetamide
CID 101189832

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-pentoxyacetyl)amino]phenyl]-N-propan-2-ylacetamide?
The IUPAC name of 2-[4-[(2-pentoxyacetyl)amino]phenyl]-N-propan-2-ylacetamide (CID 86871791) is 2-[4-[(2-pentoxyacetyl)amino]phenyl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[4-[(2-pentoxyacetyl)amino]phenyl]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[4-[(2-pentoxyacetyl)amino]phenyl]-N-propan-2-ylacetamide is CCCCCOCC(=O)Nc1ccc(CC(=O)NC(C)C)cc1.
What is the InChIKey of 2-[4-[(2-pentoxyacetyl)amino]phenyl]-N-propan-2-ylacetamide?
The InChIKey is DYKLNKMOIIIRPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3/c1-4-5-6-11-23-13-18(22)20-16-9-7-15(8-10-16)12-17(21)19-14(2)3/h7-10,14H,4-6,11-13H2,1-3H3,(H,19,21)(H,20,22).
What are the key properties of 2-[4-[(2-pentoxyacetyl)amino]phenyl]-N-propan-2-ylacetamide?
2-[4-[(2-pentoxyacetyl)amino]phenyl]-N-propan-2-ylacetamide has a molecular weight of 320.43 g/mol, XLogP of 2.90, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-pentoxyacetyl)amino]phenyl]-N-propan-2-ylacetamide is sourced from PubChem (CID 86871791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).