2-[5-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-2-methoxyphenoxy]acetamide

C17H19ClN2O3 — CID 95624450

IUPAC2-[5-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-2-methoxyphenoxy]acetamide
SMILESCOc1ccc(N[C@H](C)c2ccccc2Cl)cc1OCC(N)=O
InChIInChI=1S/C17H19ClN2O3/c1-11(13-5-3-4-6-14(13)18)20-12-7-8-15(22-2)16(9-12)23-10-17(19)21/h3-9,11,20H,10H2,1-2H3,(H2,19,21)/t11-/m1/s1
InChIKeyCULJNVWVKUHGHI-LLVKDONJSA-N
MW334.80 g/mol
LogP3.39
Rot. Bonds7

About 2-[5-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-2-methoxyphenoxy]acetamide

2-[5-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-2-methoxyphenoxy]acetamide (PubChem CID 95624450) has the molecular formula C17H19ClN2O3 and a molecular weight of 334.80 g/mol. Its IUPAC name is 2-[5-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-2-methoxyphenoxy]acetamide.

Molecular Properties

Compound Name2-[5-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-2-methoxyphenoxy]acetamide
PubChem CID95624450
Molecular FormulaC17H19ClN2O3
Molecular Weight334.80 g/mol
Exact Mass334.11
IUPAC Name2-[5-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-2-methoxyphenoxy]acetamide
SMILESCOc1ccc(N[C@H](C)c2ccccc2Cl)cc1OCC(N)=O
InChIInChI=1S/C17H19ClN2O3/c1-11(13-5-3-4-6-14(13)18)20-12-7-8-15(22-2)16(9-12)23-10-17(19)21/h3-9,11,20H,10H2,1-2H3,(H2,19,21)/t11-/m1/s1
InChIKeyCULJNVWVKUHGHI-LLVKDONJSA-N
XLogP3.39
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.80
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

3-chloro-N-[1-(2-chlorophenyl)ethyl]-4-methoxyaniline
CID 43079492
2-[5-[1-(2,6-difluorophenyl)ethylamino]-2-methoxyphenoxy]acetamide
CID 56805403
2-[5-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]-2-methoxyphenoxy]acetamide
CID 95624444
3-[[(1R)-1-(2-chlorophenyl)ethyl]amino]benzamide
CID 28650557
2-[3-(2-amino-2-oxoethoxy)-4-methoxyanilino]-N-(2,6-dimethylphenyl)propanamide
CID 47065312
4-chloro-N-[1-(2-ethoxyphenyl)ethyl]-3-methoxyaniline
CID 107620944
[2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-2-oxoethyl] 2-(4-acetyl-2-methoxyphenoxy)acetate
CID 8526164
2-[2-methoxy-5-[1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethylamino]phenoxy]acetamide
CID 60542358
N-[(1R)-1-(2-chlorophenyl)ethyl]-2-(2,4-dichlorophenoxy)acetamide
CID 7859030
N-(3-chloro-4-methoxyphenyl)-2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]acetamide
CID 9306824
4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxy-N-[1-(2-methoxyphenyl)ethyl]benzamide
CID 17442232
3-ethoxy-4-methoxy-N-(1-pyridin-2-ylethyl)aniline
CID 43729895

Frequently Asked Questions

What is the IUPAC name of 2-[5-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-2-methoxyphenoxy]acetamide?
The IUPAC name of 2-[5-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-2-methoxyphenoxy]acetamide (CID 95624450) is 2-[5-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-2-methoxyphenoxy]acetamide.
What is the SMILES notation for 2-[5-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-2-methoxyphenoxy]acetamide?
The canonical SMILES for 2-[5-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-2-methoxyphenoxy]acetamide is COc1ccc(N[C@H](C)c2ccccc2Cl)cc1OCC(N)=O.
What is the InChIKey of 2-[5-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-2-methoxyphenoxy]acetamide?
The InChIKey is CULJNVWVKUHGHI-LLVKDONJSA-N. The full InChI is InChI=1S/C17H19ClN2O3/c1-11(13-5-3-4-6-14(13)18)20-12-7-8-15(22-2)16(9-12)23-10-17(19)21/h3-9,11,20H,10H2,1-2H3,(H2,19,21)/t11-/m1/s1.
What are the key properties of 2-[5-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-2-methoxyphenoxy]acetamide?
2-[5-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-2-methoxyphenoxy]acetamide has a molecular weight of 334.80 g/mol, XLogP of 3.39, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-2-methoxyphenoxy]acetamide is sourced from PubChem (CID 95624450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).