2-[ethyl-[2-[4-(4-hydroxybut-1-ynyl)phenoxy]ethyl]amino]acetamide

C16H22N2O3 — CID 103104040

IUPAC2-[ethyl-[2-[4-(4-hydroxybut-1-ynyl)phenoxy]ethyl]amino]acetamide
SMILESCCN(CCOc1ccc(C#CCCO)cc1)CC(N)=O
InChIInChI=1S/C16H22N2O3/c1-2-18(13-16(17)20)10-12-21-15-8-6-14(7-9-15)5-3-4-11-19/h6-9,19H,2,4,10-13H2,1H3,(H2,17,20)
InChIKeyVUXZWDVINVQAEI-UHFFFAOYSA-N
MW290.36 g/mol
LogP0.61
Rot. Bonds8

About 2-[ethyl-[2-[4-(4-hydroxybut-1-ynyl)phenoxy]ethyl]amino]acetamide

2-[ethyl-[2-[4-(4-hydroxybut-1-ynyl)phenoxy]ethyl]amino]acetamide (PubChem CID 103104040) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 2-[ethyl-[2-[4-(4-hydroxybut-1-ynyl)phenoxy]ethyl]amino]acetamide.

Molecular Properties

Compound Name2-[ethyl-[2-[4-(4-hydroxybut-1-ynyl)phenoxy]ethyl]amino]acetamide
PubChem CID103104040
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name2-[ethyl-[2-[4-(4-hydroxybut-1-ynyl)phenoxy]ethyl]amino]acetamide
SMILESCCN(CCOc1ccc(C#CCCO)cc1)CC(N)=O
InChIInChI=1S/C16H22N2O3/c1-2-18(13-16(17)20)10-12-21-15-8-6-14(7-9-15)5-3-4-11-19/h6-9,19H,2,4,10-13H2,1H3,(H2,17,20)
InChIKeyVUXZWDVINVQAEI-UHFFFAOYSA-N
XLogP0.61
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(2-amino-2-oxoethyl)-[[4-(4-hydroxybut-1-ynyl)phenyl]methyl]amino]acetamide
CID 62921910
4-(4-propoxyphenyl)but-3-yn-1-ol
CID 60800610
4-[3-[2-(diethylamino)ethoxy]phenyl]but-3-yn-1-ol
CID 54923470
4-[4-(2-ethoxyethoxy)phenyl]but-3-yn-1-ol
CID 60801474
4-[4-[2-(dimethylamino)ethoxy]phenyl]but-3-ynamide
CID 170473957
4-[4-[2-[2-hydroxypropyl(methyl)amino]ethoxy]phenyl]but-3-yn-1-ol
CID 62337947
3-[4-[2-[ethyl(methyl)amino]ethoxy]phenyl]prop-2-yn-1-ol
CID 54970283
5-(4-methoxyphenyl)pent-4-ynamide
CID 125493873
2-[ethyl-[2-(4-propoxyphenoxy)ethyl]amino]ethanol
CID 60685463
2-[2-(4-bromophenoxy)ethyl-(2-methylpropyl)amino]acetamide
CID 54942583
N,N-diethyl-2-[4-[2-[4-(4-methoxyphenyl)phenyl]ethynyl]phenoxy]ethanamine
CID 122184570
4-[2-[ethyl(propyl)amino]ethoxy]benzohydrazide
CID 55213633

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[2-[4-(4-hydroxybut-1-ynyl)phenoxy]ethyl]amino]acetamide?
The IUPAC name of 2-[ethyl-[2-[4-(4-hydroxybut-1-ynyl)phenoxy]ethyl]amino]acetamide (CID 103104040) is 2-[ethyl-[2-[4-(4-hydroxybut-1-ynyl)phenoxy]ethyl]amino]acetamide.
What is the SMILES notation for 2-[ethyl-[2-[4-(4-hydroxybut-1-ynyl)phenoxy]ethyl]amino]acetamide?
The canonical SMILES for 2-[ethyl-[2-[4-(4-hydroxybut-1-ynyl)phenoxy]ethyl]amino]acetamide is CCN(CCOc1ccc(C#CCCO)cc1)CC(N)=O.
What is the InChIKey of 2-[ethyl-[2-[4-(4-hydroxybut-1-ynyl)phenoxy]ethyl]amino]acetamide?
The InChIKey is VUXZWDVINVQAEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-2-18(13-16(17)20)10-12-21-15-8-6-14(7-9-15)5-3-4-11-19/h6-9,19H,2,4,10-13H2,1H3,(H2,17,20).
What are the key properties of 2-[ethyl-[2-[4-(4-hydroxybut-1-ynyl)phenoxy]ethyl]amino]acetamide?
2-[ethyl-[2-[4-(4-hydroxybut-1-ynyl)phenoxy]ethyl]amino]acetamide has a molecular weight of 290.36 g/mol, XLogP of 0.61, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[2-[4-(4-hydroxybut-1-ynyl)phenoxy]ethyl]amino]acetamide is sourced from PubChem (CID 103104040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).