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

C14H22N2O3 — CID 78937320

IUPAC2-[4-[(1S)-1-aminopropyl]phenoxy]-N-(2-methoxyethyl)acetamide
SMILESCC[C@H](N)c1ccc(OCC(=O)NCCOC)cc1
InChIInChI=1S/C14H22N2O3/c1-3-13(15)11-4-6-12(7-5-11)19-10-14(17)16-8-9-18-2/h4-7,13H,3,8-10,15H2,1-2H3,(H,16,17)/t13-/m0/s1
InChIKeyRXICFRPRSRQKQF-ZDUSSCGKSA-N
MW266.34 g/mol
LogP1.24
Rot. Bonds8

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

2-[4-[(1S)-1-aminopropyl]phenoxy]-N-(2-methoxyethyl)acetamide (PubChem CID 78937320) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is 2-[4-[(1S)-1-aminopropyl]phenoxy]-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2-[4-[(1S)-1-aminopropyl]phenoxy]-N-(2-methoxyethyl)acetamide
PubChem CID78937320
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name2-[4-[(1S)-1-aminopropyl]phenoxy]-N-(2-methoxyethyl)acetamide
SMILESCC[C@H](N)c1ccc(OCC(=O)NCCOC)cc1
InChIInChI=1S/C14H22N2O3/c1-3-13(15)11-4-6-12(7-5-11)19-10-14(17)16-8-9-18-2/h4-7,13H,3,8-10,15H2,1-2H3,(H,16,17)/t13-/m0/s1
InChIKeyRXICFRPRSRQKQF-ZDUSSCGKSA-N
XLogP1.24
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[4-[(1S)-1-hydroxypropyl]phenoxy]-N-(2-methoxyethyl)acetamide
CID 78932114
2-[4-[(1S)-1-aminopropyl]phenoxy]-N-(2-cyanoethyl)acetamide
CID 78936989
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-aminopropyl]phenoxy]-N-carbamoylacetamide
CID 30072606
2-[4-[(1R)-1-hydroxypropyl]phenoxy]-N-(3-methoxypropyl)acetamide
CID 63365686
2-[4-[(1R)-1-aminopropyl]phenoxy]-N-(3-methylbutan-2-yl)acetamide
CID 63367720
2-[4-[(1R)-1-aminopropyl]phenoxy]acetamide
CID 30072384
2-[4-(1-aminopropyl)phenoxy]-N-pentan-2-ylacetamide
CID 61489836
[2-(2-methoxyethylamino)-2-oxoethyl] 2-(4-aminophenoxy)acetate
CID 61485546
2-[4-[(1R)-1-aminopropyl]phenoxy]-N-(3-methoxypropyl)propanamide
CID 78930257
2-(3-butoxyphenoxy)-N-(2-methoxyethyl)acetamide
CID 4733178

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(1S)-1-aminopropyl]phenoxy]-N-(2-methoxyethyl)acetamide?
The IUPAC name of 2-[4-[(1S)-1-aminopropyl]phenoxy]-N-(2-methoxyethyl)acetamide (CID 78937320) is 2-[4-[(1S)-1-aminopropyl]phenoxy]-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-[4-[(1S)-1-aminopropyl]phenoxy]-N-(2-methoxyethyl)acetamide?
The canonical SMILES for 2-[4-[(1S)-1-aminopropyl]phenoxy]-N-(2-methoxyethyl)acetamide is CC[C@H](N)c1ccc(OCC(=O)NCCOC)cc1.
What is the InChIKey of 2-[4-[(1S)-1-aminopropyl]phenoxy]-N-(2-methoxyethyl)acetamide?
The InChIKey is RXICFRPRSRQKQF-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-3-13(15)11-4-6-12(7-5-11)19-10-14(17)16-8-9-18-2/h4-7,13H,3,8-10,15H2,1-2H3,(H,16,17)/t13-/m0/s1.
What are the key properties of 2-[4-[(1S)-1-aminopropyl]phenoxy]-N-(2-methoxyethyl)acetamide?
2-[4-[(1S)-1-aminopropyl]phenoxy]-N-(2-methoxyethyl)acetamide has a molecular weight of 266.34 g/mol, XLogP of 1.24, 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-aminopropyl]phenoxy]-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 78937320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).