2-[4-[(1S)-1-hydroxypropyl]phenoxy]-N-(2-methoxyethyl)acetamide

C14H21NO4 — CID 78932114

IUPAC2-[4-[(1S)-1-hydroxypropyl]phenoxy]-N-(2-methoxyethyl)acetamide
SMILESCC[C@H](O)c1ccc(OCC(=O)NCCOC)cc1
InChIInChI=1S/C14H21NO4/c1-3-13(16)11-4-6-12(7-5-11)19-10-14(17)15-8-9-18-2/h4-7,13,16H,3,8-10H2,1-2H3,(H,15,17)/t13-/m0/s1
InChIKeyDNAMYZWGSROEJI-ZDUSSCGKSA-N
MW267.32 g/mol
LogP1.27
Rot. Bonds8

About 2-[4-[(1S)-1-hydroxypropyl]phenoxy]-N-(2-methoxyethyl)acetamide

2-[4-[(1S)-1-hydroxypropyl]phenoxy]-N-(2-methoxyethyl)acetamide (PubChem CID 78932114) has the molecular formula C14H21NO4 and a molecular weight of 267.32 g/mol. Its IUPAC name is 2-[4-[(1S)-1-hydroxypropyl]phenoxy]-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2-[4-[(1S)-1-hydroxypropyl]phenoxy]-N-(2-methoxyethyl)acetamide
PubChem CID78932114
Molecular FormulaC14H21NO4
Molecular Weight267.32 g/mol
Exact Mass267.15
IUPAC Name2-[4-[(1S)-1-hydroxypropyl]phenoxy]-N-(2-methoxyethyl)acetamide
SMILESCC[C@H](O)c1ccc(OCC(=O)NCCOC)cc1
InChIInChI=1S/C14H21NO4/c1-3-13(16)11-4-6-12(7-5-11)19-10-14(17)15-8-9-18-2/h4-7,13,16H,3,8-10H2,1-2H3,(H,15,17)/t13-/m0/s1
InChIKeyDNAMYZWGSROEJI-ZDUSSCGKSA-N
XLogP1.27
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[4-[(1S)-1-hydroxypropyl]phenoxy]-N-(2-methoxyethyl)acetamide 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-[(1R)-1-hydroxypropyl]phenoxy]-N-(3-methoxypropyl)acetamide
CID 63365686
2-[4-[(1S)-1-aminopropyl]phenoxy]-N-(2-methoxyethyl)acetamide
CID 78937320
N-(cyanomethyl)-2-[4-[(1S)-1-hydroxypropyl]phenoxy]acetamide
CID 78934153
2-[4-[1-(ethylamino)ethyl]phenoxy]-N-(2-methoxyethyl)acetamide
CID 61487528
2-(4-hydroxyphenoxy)-N-(2-methoxyethyl)acetamide
CID 61485470
2-[4-[(1S)-1-hydroxypropyl]phenoxy]-N-prop-2-ynylacetamide
CID 78934270
2-[4-(1-hydroxypropyl)phenoxy]-N-prop-2-enylacetamide
CID 43504554
N-carbamoyl-2-[4-[(1R)-1-hydroxypropyl]phenoxy]acetamide
CID 78933968
2-[4-[(1R)-1-hydroxypropyl]phenoxy]-N-(3-methylbutan-2-yl)acetamide
CID 63365734
2-(3-butoxyphenoxy)-N-(2-methoxyethyl)acetamide
CID 4733178
2-[4-(1-hydroxyethyl)-2-methoxyphenoxy]-N-(2-methoxyethyl)acetamide
CID 60728745
2-[4-[(1S)-1-hydroxyethyl]-2-methoxyphenoxy]-N-(2-methoxyethyl)acetamide
CID 78931398

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(1S)-1-hydroxypropyl]phenoxy]-N-(2-methoxyethyl)acetamide?
The IUPAC name of 2-[4-[(1S)-1-hydroxypropyl]phenoxy]-N-(2-methoxyethyl)acetamide (CID 78932114) is 2-[4-[(1S)-1-hydroxypropyl]phenoxy]-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-[4-[(1S)-1-hydroxypropyl]phenoxy]-N-(2-methoxyethyl)acetamide?
The canonical SMILES for 2-[4-[(1S)-1-hydroxypropyl]phenoxy]-N-(2-methoxyethyl)acetamide is CC[C@H](O)c1ccc(OCC(=O)NCCOC)cc1.
What is the InChIKey of 2-[4-[(1S)-1-hydroxypropyl]phenoxy]-N-(2-methoxyethyl)acetamide?
The InChIKey is DNAMYZWGSROEJI-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H21NO4/c1-3-13(16)11-4-6-12(7-5-11)19-10-14(17)15-8-9-18-2/h4-7,13,16H,3,8-10H2,1-2H3,(H,15,17)/t13-/m0/s1.
What are the key properties of 2-[4-[(1S)-1-hydroxypropyl]phenoxy]-N-(2-methoxyethyl)acetamide?
2-[4-[(1S)-1-hydroxypropyl]phenoxy]-N-(2-methoxyethyl)acetamide has a molecular weight of 267.32 g/mol, XLogP of 1.27, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(1S)-1-hydroxypropyl]phenoxy]-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 78932114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).