[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 3-phenylpropanoate

C19H21NO4 — CID 7958312

IUPAC[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 3-phenylpropanoate
SMILESCOc1ccccc1CNC(=O)COC(=O)CCc1ccccc1
InChIInChI=1S/C19H21NO4/c1-23-17-10-6-5-9-16(17)13-20-18(21)14-24-19(22)12-11-15-7-3-2-4-8-15/h2-10H,11-14H2,1H3,(H,20,21)
InChIKeyOZEAEMXUHHKYBF-UHFFFAOYSA-N
MW327.38 g/mol
LogP2.49
Rot. Bonds8

About [2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 3-phenylpropanoate

[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 3-phenylpropanoate (PubChem CID 7958312) has the molecular formula C19H21NO4 and a molecular weight of 327.38 g/mol. Its IUPAC name is [2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 3-phenylpropanoate.

Molecular Properties

Compound Name[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 3-phenylpropanoate
PubChem CID7958312
Molecular FormulaC19H21NO4
Molecular Weight327.38 g/mol
Exact Mass327.15
IUPAC Name[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 3-phenylpropanoate
SMILESCOc1ccccc1CNC(=O)COC(=O)CCc1ccccc1
InChIInChI=1S/C19H21NO4/c1-23-17-10-6-5-9-16(17)13-20-18(21)14-24-19(22)12-11-15-7-3-2-4-8-15/h2-10H,11-14H2,1H3,(H,20,21)
InChIKeyOZEAEMXUHHKYBF-UHFFFAOYSA-N
XLogP2.49
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 4-oxo-4-(4-phenylphenyl)butanoate
CID 55404534
[2-(benzylamino)-2-oxoethyl] 3-(3,4-dimethoxyphenyl)propanoate
CID 55325328
[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 2-(4-methoxyphenoxy)acetate
CID 8905581
[2-[(2-fluorophenyl)methylamino]-2-oxoethyl] 3-(4-methoxyphenyl)propanoate
CID 8808388
[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 3-(2-methoxyphenyl)propanoate
CID 8524322
N-[(2-methoxyphenyl)methyl]-3-pyridin-4-ylpropanamide
CID 110468458
[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 2-(2-fluorophenoxy)acetate
CID 8002848
[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 2-[3-(trifluoromethyl)phenyl]acetate
CID 8013869
[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] cyclobutanecarboxylate
CID 8019538
[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 2-(5-acetyl-2-methoxyphenyl)acetate
CID 8535069
[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 2-(2-phenyl-1,3-thiazol-4-yl)acetate
CID 30802581
[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 3-(3,4-difluorophenyl)sulfanylpropanoate
CID 8821591

Frequently Asked Questions

What is the IUPAC name of [2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 3-phenylpropanoate?
The IUPAC name of [2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 3-phenylpropanoate (CID 7958312) is [2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 3-phenylpropanoate.
What is the SMILES notation for [2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 3-phenylpropanoate?
The canonical SMILES for [2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 3-phenylpropanoate is COc1ccccc1CNC(=O)COC(=O)CCc1ccccc1.
What is the InChIKey of [2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 3-phenylpropanoate?
The InChIKey is OZEAEMXUHHKYBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO4/c1-23-17-10-6-5-9-16(17)13-20-18(21)14-24-19(22)12-11-15-7-3-2-4-8-15/h2-10H,11-14H2,1H3,(H,20,21).
What are the key properties of [2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 3-phenylpropanoate?
[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 3-phenylpropanoate has a molecular weight of 327.38 g/mol, XLogP of 2.49, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 3-phenylpropanoate is sourced from PubChem (CID 7958312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).