4-[[3-[4-(2-cyclopentyloxyethoxy)phenoxy]-2-hydroxypropyl]amino]-N-phenylbutanamide

C26H36N2O5 — CID 56597316

IUPAC4-[[3-[4-(2-cyclopentyloxyethoxy)phenoxy]-2-hydroxypropyl]amino]-N-phenylbutanamide
SMILESO=C(CCCNCC(O)COc1ccc(OCCOC2CCCC2)cc1)Nc1ccccc1
InChIInChI=1S/C26H36N2O5/c29-22(19-27-16-6-11-26(30)28-21-7-2-1-3-8-21)20-33-25-14-12-24(13-15-25)32-18-17-31-23-9-4-5-10-23/h1-3,7-8,12-15,22-23,27,29H,4-6,9-11,16-20H2,(H,28,30)
InChIKeyVUXHYWHDZAVJKZ-UHFFFAOYSA-N
MW456.58 g/mol
LogP3.77
Rot. Bonds15

About 4-[[3-[4-(2-cyclopentyloxyethoxy)phenoxy]-2-hydroxypropyl]amino]-N-phenylbutanamide

4-[[3-[4-(2-cyclopentyloxyethoxy)phenoxy]-2-hydroxypropyl]amino]-N-phenylbutanamide (PubChem CID 56597316) has the molecular formula C26H36N2O5 and a molecular weight of 456.58 g/mol. Its IUPAC name is 4-[[3-[4-(2-cyclopentyloxyethoxy)phenoxy]-2-hydroxypropyl]amino]-N-phenylbutanamide.

Molecular Properties

Compound Name4-[[3-[4-(2-cyclopentyloxyethoxy)phenoxy]-2-hydroxypropyl]amino]-N-phenylbutanamide
PubChem CID56597316
Molecular FormulaC26H36N2O5
Molecular Weight456.58 g/mol
Exact Mass456.26
IUPAC Name4-[[3-[4-(2-cyclopentyloxyethoxy)phenoxy]-2-hydroxypropyl]amino]-N-phenylbutanamide
SMILESO=C(CCCNCC(O)COc1ccc(OCCOC2CCCC2)cc1)Nc1ccccc1
InChIInChI=1S/C26H36N2O5/c29-22(19-27-16-6-11-26(30)28-21-7-2-1-3-8-21)20-33-25-14-12-24(13-15-25)32-18-17-31-23-9-4-5-10-23/h1-3,7-8,12-15,22-23,27,29H,4-6,9-11,16-20H2,(H,28,30)
InChIKeyVUXHYWHDZAVJKZ-UHFFFAOYSA-N
XLogP3.77
TPSA89.05 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.58
LogP ≤ 53.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-[2-[[3-[4-(2-cyclopentyloxyethoxy)phenoxy]-2-hydroxypropyl]amino]ethyl]-3-phenylthiourea
CID 56597319
1-[2-[[3-[4-(2-cyclopentyloxyethoxy)phenoxy]-2-hydroxypropyl]amino]ethyl]-3-(3-methylphenyl)urea
CID 56599098
1-(3-chlorophenyl)-3-[2-[[(2R)-3-[4-(2-cyclopentyloxyethoxy)phenoxy]-2-hydroxypropyl]amino]ethyl]urea
CID 56598568
N-[2-[[3-[4-(2-cyclopentyloxyethoxy)phenoxy]-2-hydroxypropyl]amino]ethyl]-2-fluorobenzamide
CID 56597590
7-[(2-hydroxy-3-phenoxypropyl)amino]heptanoic acid
CID 3304910
5-oxo-5-[4-(2-phenoxyethoxy)anilino]pentanoic acid
CID 4958221
4-(4-fluorophenoxy)-N-phenylbutanamide
CID 60723715
3-[(2-hydroxy-3-phenoxypropyl)amino]-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]propanamide
CID 14003389
3-[[2-hydroxy-3-(4-hydroxyphenoxy)propyl]amino]propyl 2-phenoxyacetate
CID 67677147
N-[4-(2-hydroxy-3-phenoxypropoxy)phenyl]-3-methylsulfanylpropanamide
CID 10498811
3-[(2-hydroxy-3-phenoxypropyl)amino]-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]propanamide;hydrobromide
CID 14003390
1-[4-[2-[[(2S)-2-hydroxy-3-phenoxypropyl]amino]ethyl]phenyl]-3-phenylurea;hydrochloride
CID 52949022

Frequently Asked Questions

What is the IUPAC name of 4-[[3-[4-(2-cyclopentyloxyethoxy)phenoxy]-2-hydroxypropyl]amino]-N-phenylbutanamide?
The IUPAC name of 4-[[3-[4-(2-cyclopentyloxyethoxy)phenoxy]-2-hydroxypropyl]amino]-N-phenylbutanamide (CID 56597316) is 4-[[3-[4-(2-cyclopentyloxyethoxy)phenoxy]-2-hydroxypropyl]amino]-N-phenylbutanamide.
What is the SMILES notation for 4-[[3-[4-(2-cyclopentyloxyethoxy)phenoxy]-2-hydroxypropyl]amino]-N-phenylbutanamide?
The canonical SMILES for 4-[[3-[4-(2-cyclopentyloxyethoxy)phenoxy]-2-hydroxypropyl]amino]-N-phenylbutanamide is O=C(CCCNCC(O)COc1ccc(OCCOC2CCCC2)cc1)Nc1ccccc1.
What is the InChIKey of 4-[[3-[4-(2-cyclopentyloxyethoxy)phenoxy]-2-hydroxypropyl]amino]-N-phenylbutanamide?
The InChIKey is VUXHYWHDZAVJKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N2O5/c29-22(19-27-16-6-11-26(30)28-21-7-2-1-3-8-21)20-33-25-14-12-24(13-15-25)32-18-17-31-23-9-4-5-10-23/h1-3,7-8,12-15,22-23,27,29H,4-6,9-11,16-20H2,(H,28,30).
What are the key properties of 4-[[3-[4-(2-cyclopentyloxyethoxy)phenoxy]-2-hydroxypropyl]amino]-N-phenylbutanamide?
4-[[3-[4-(2-cyclopentyloxyethoxy)phenoxy]-2-hydroxypropyl]amino]-N-phenylbutanamide has a molecular weight of 456.58 g/mol, XLogP of 3.77, 15 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-[4-(2-cyclopentyloxyethoxy)phenoxy]-2-hydroxypropyl]amino]-N-phenylbutanamide is sourced from PubChem (CID 56597316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).