[(2R)-1-(2-methoxyethylamino)-1-oxopropan-2-yl] 3-(2-methoxyphenyl)propanoate

C16H23NO5 — CID 8956013

IUPAC[(2R)-1-(2-methoxyethylamino)-1-oxopropan-2-yl] 3-(2-methoxyphenyl)propanoate
SMILESCOCCNC(=O)[C@@H](C)OC(=O)CCc1ccccc1OC
InChIInChI=1S/C16H23NO5/c1-12(16(19)17-10-11-20-2)22-15(18)9-8-13-6-4-5-7-14(13)21-3/h4-7,12H,8-11H2,1-3H3,(H,17,19)/t12-/m1/s1
InChIKeySSCPVSNBYXTCRI-GFCCVEGCSA-N
MW309.36 g/mol
LogP1.32
Rot. Bonds9

About [(2R)-1-(2-methoxyethylamino)-1-oxopropan-2-yl] 3-(2-methoxyphenyl)propanoate

[(2R)-1-(2-methoxyethylamino)-1-oxopropan-2-yl] 3-(2-methoxyphenyl)propanoate (PubChem CID 8956013) has the molecular formula C16H23NO5 and a molecular weight of 309.36 g/mol. Its IUPAC name is [(2R)-1-(2-methoxyethylamino)-1-oxopropan-2-yl] 3-(2-methoxyphenyl)propanoate.

Molecular Properties

Compound Name[(2R)-1-(2-methoxyethylamino)-1-oxopropan-2-yl] 3-(2-methoxyphenyl)propanoate
PubChem CID8956013
Molecular FormulaC16H23NO5
Molecular Weight309.36 g/mol
Exact Mass309.16
IUPAC Name[(2R)-1-(2-methoxyethylamino)-1-oxopropan-2-yl] 3-(2-methoxyphenyl)propanoate
SMILESCOCCNC(=O)[C@@H](C)OC(=O)CCc1ccccc1OC
InChIInChI=1S/C16H23NO5/c1-12(16(19)17-10-11-20-2)22-15(18)9-8-13-6-4-5-7-14(13)21-3/h4-7,12H,8-11H2,1-3H3,(H,17,19)/t12-/m1/s1
InChIKeySSCPVSNBYXTCRI-GFCCVEGCSA-N
XLogP1.32
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.36
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [(2R)-1-(2-methoxyethylamino)-1-oxopropan-2-yl] 3-(2-methoxyphenyl)propanoate 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

[1-(methylcarbamoylamino)-1-oxopropan-2-yl] 3-(2-methoxyphenyl)propanoate
CID 42971001
[(2R)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] 3-(2-methoxyphenyl)propanoate
CID 7871072
N'-(2-methoxyethyl)-N-[2-(2-methoxyphenyl)ethyl]oxamide
CID 44996618
[1-oxo-1-(4-phenoxyanilino)propan-2-yl] 3-(2-methoxyphenyl)propanoate
CID 16543759
[(2R)-1-[4-(2-methylpropanoylamino)phenyl]-1-oxopropan-2-yl] 3-(2-methoxyphenyl)propanoate
CID 9455625
[(2R)-1-(2,5-dichloroanilino)-1-oxopropan-2-yl] 3-(2-methoxyphenyl)propanoate
CID 8524267
2-(2-ethylphenoxy)-N-(2-methoxyethyl)propanamide
CID 53284936
[(2R)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 3-(2-methoxyphenyl)propanoate
CID 40692975
[(2S)-1-[(2-chloro-3-pyridinyl)amino]-1-oxopropan-2-yl] 3-(2-methoxyphenyl)propanoate
CID 8956074
1-(2-methoxyethyl)-3-[2-(2-methoxyphenyl)ethyl]-2-methylguanidine
CID 110941548
1-(2-methoxyphenyl)-4-methylpentan-3-one
CID 58133956
N-[2-(2-methoxyphenoxy)ethyl]-3-(2-methoxyphenyl)propanamide
CID 51157212

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(2-methoxyethylamino)-1-oxopropan-2-yl] 3-(2-methoxyphenyl)propanoate?
The IUPAC name of [(2R)-1-(2-methoxyethylamino)-1-oxopropan-2-yl] 3-(2-methoxyphenyl)propanoate (CID 8956013) is [(2R)-1-(2-methoxyethylamino)-1-oxopropan-2-yl] 3-(2-methoxyphenyl)propanoate.
What is the SMILES notation for [(2R)-1-(2-methoxyethylamino)-1-oxopropan-2-yl] 3-(2-methoxyphenyl)propanoate?
The canonical SMILES for [(2R)-1-(2-methoxyethylamino)-1-oxopropan-2-yl] 3-(2-methoxyphenyl)propanoate is COCCNC(=O)[C@@H](C)OC(=O)CCc1ccccc1OC.
What is the InChIKey of [(2R)-1-(2-methoxyethylamino)-1-oxopropan-2-yl] 3-(2-methoxyphenyl)propanoate?
The InChIKey is SSCPVSNBYXTCRI-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H23NO5/c1-12(16(19)17-10-11-20-2)22-15(18)9-8-13-6-4-5-7-14(13)21-3/h4-7,12H,8-11H2,1-3H3,(H,17,19)/t12-/m1/s1.
What are the key properties of [(2R)-1-(2-methoxyethylamino)-1-oxopropan-2-yl] 3-(2-methoxyphenyl)propanoate?
[(2R)-1-(2-methoxyethylamino)-1-oxopropan-2-yl] 3-(2-methoxyphenyl)propanoate has a molecular weight of 309.36 g/mol, XLogP of 1.32, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(2-methoxyethylamino)-1-oxopropan-2-yl] 3-(2-methoxyphenyl)propanoate is sourced from PubChem (CID 8956013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).