N-pentyl-2-(4-propan-2-ylphenoxy)propanamide

C17H27NO2 — CID 64763482

IUPACN-pentyl-2-(4-propan-2-ylphenoxy)propanamide
SMILESCCCCCNC(=O)C(C)Oc1ccc(C(C)C)cc1
InChIInChI=1S/C17H27NO2/c1-5-6-7-12-18-17(19)14(4)20-16-10-8-15(9-11-16)13(2)3/h8-11,13-14H,5-7,12H2,1-4H3,(H,18,19)
InChIKeyUOJYFIUMBVHWSX-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.88
Rot. Bonds8

About N-pentyl-2-(4-propan-2-ylphenoxy)propanamide

N-pentyl-2-(4-propan-2-ylphenoxy)propanamide (PubChem CID 64763482) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is N-pentyl-2-(4-propan-2-ylphenoxy)propanamide.

Molecular Properties

Compound NameN-pentyl-2-(4-propan-2-ylphenoxy)propanamide
PubChem CID64763482
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC NameN-pentyl-2-(4-propan-2-ylphenoxy)propanamide
SMILESCCCCCNC(=O)C(C)Oc1ccc(C(C)C)cc1
InChIInChI=1S/C17H27NO2/c1-5-6-7-12-18-17(19)14(4)20-16-10-8-15(9-11-16)13(2)3/h8-11,13-14H,5-7,12H2,1-4H3,(H,18,19)
InChIKeyUOJYFIUMBVHWSX-UHFFFAOYSA-N
XLogP3.88
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-pentyl-2-(4-propan-2-ylphenoxy)propanamide 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

2-(4-propan-2-ylphenoxy)-N-[2-[2-(4-propan-2-ylphenoxy)propanoylamino]ethyl]propanamide
CID 4954241
2-[4-[1-(methylamino)ethyl]phenoxy]-N-pentylpropanamide
CID 43279211
(2S)-N-butyl-2-(4-methoxyphenoxy)propanamide
CID 42082748
2-[4-(2-hydroxypropyl)phenoxy]-N-pentylpropanamide
CID 115495866
N-butyl-2-(4-iodophenoxy)propanamide
CID 60718400
(2S)-2-(4-bromophenoxy)-N-butylpropanamide
CID 28826027
2-(4-chlorophenoxy)-N-[3-[2-(4-chlorophenoxy)propanoylamino]propyl]propanamide
CID 4944309
methyl 4-[1-(butylamino)-1-oxopropan-2-yl]oxybenzoate
CID 60718466
N-(4-heptoxyphenyl)-2-(4-propan-2-ylphenoxy)propanamide
CID 4953734
N-butyl-2-[4-(2-hydroxypropyl)phenoxy]propanamide
CID 115495782
(2R)-N-pentyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
CID 100553248
(2S)-2-phenoxy-N-[9-[[(2S)-2-phenoxypropanoyl]amino]nonyl]propanamide
CID 28839964

Frequently Asked Questions

What is the IUPAC name of N-pentyl-2-(4-propan-2-ylphenoxy)propanamide?
The IUPAC name of N-pentyl-2-(4-propan-2-ylphenoxy)propanamide (CID 64763482) is N-pentyl-2-(4-propan-2-ylphenoxy)propanamide.
What is the SMILES notation for N-pentyl-2-(4-propan-2-ylphenoxy)propanamide?
The canonical SMILES for N-pentyl-2-(4-propan-2-ylphenoxy)propanamide is CCCCCNC(=O)C(C)Oc1ccc(C(C)C)cc1.
What is the InChIKey of N-pentyl-2-(4-propan-2-ylphenoxy)propanamide?
The InChIKey is UOJYFIUMBVHWSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-5-6-7-12-18-17(19)14(4)20-16-10-8-15(9-11-16)13(2)3/h8-11,13-14H,5-7,12H2,1-4H3,(H,18,19).
What are the key properties of N-pentyl-2-(4-propan-2-ylphenoxy)propanamide?
N-pentyl-2-(4-propan-2-ylphenoxy)propanamide has a molecular weight of 277.41 g/mol, XLogP of 3.88, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-pentyl-2-(4-propan-2-ylphenoxy)propanamide is sourced from PubChem (CID 64763482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).