methyl 2-[2-(4-acetamidophenyl)ethylamino]acetate

C13H18N2O3 — CID 165487144

IUPACmethyl 2-[2-(4-acetamidophenyl)ethylamino]acetate
SMILESCOC(=O)CNCCc1ccc(NC(C)=O)cc1
InChIInChI=1S/C13H18N2O3/c1-10(16)15-12-5-3-11(4-6-12)7-8-14-9-13(17)18-2/h3-6,14H,7-9H2,1-2H3,(H,15,16)
InChIKeyCTDVQTLHKYVBNK-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.95
Rot. Bonds6

About methyl 2-[2-(4-acetamidophenyl)ethylamino]acetate

methyl 2-[2-(4-acetamidophenyl)ethylamino]acetate (PubChem CID 165487144) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is methyl 2-[2-(4-acetamidophenyl)ethylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[2-(4-acetamidophenyl)ethylamino]acetate
PubChem CID165487144
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Namemethyl 2-[2-(4-acetamidophenyl)ethylamino]acetate
SMILESCOC(=O)CNCCc1ccc(NC(C)=O)cc1
InChIInChI=1S/C13H18N2O3/c1-10(16)15-12-5-3-11(4-6-12)7-8-14-9-13(17)18-2/h3-6,14H,7-9H2,1-2H3,(H,15,16)
InChIKeyCTDVQTLHKYVBNK-UHFFFAOYSA-N
XLogP0.95
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.95
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

methyl 2-[2-(4-chlorophenyl)ethylamino]acetate
CID 54033204
methyl 2-[2-(4-ethoxyphenyl)ethylamino]acetate
CID 115233033
methyl 2-[2-(4-nitrophenyl)ethylamino]acetate
CID 43519885
N-[4-[3-(methoxyamino)propyl]phenyl]acetamide
CID 86619588
N-[4-[(2-pyridin-4-ylethylamino)methyl]phenyl]acetamide
CID 60914057
N-[4-(2-hydroxyethyl)phenyl]acetamide
CID 3295905
N-[4-[2-(4-fluorophenyl)ethylamino]phenyl]acetamide
CID 112983436
N-(4-acetamidophenyl)-2-[2-(3-chlorophenyl)ethylamino]acetamide
CID 109006756
N-[4-[2-(thiophen-3-ylmethylamino)ethyl]phenyl]acetamide
CID 56825547
N-[4-[2-(3,4-dimethoxyphenyl)ethylamino]phenyl]acetamide
CID 112984068
N-[2-(4-acetamidophenyl)ethyl]-2-amino-3-methoxypropanamide
CID 120989107
ethyl 2-[2-(4-methoxyphenyl)ethylamino]acetate
CID 28574259

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-(4-acetamidophenyl)ethylamino]acetate?
The IUPAC name of methyl 2-[2-(4-acetamidophenyl)ethylamino]acetate (CID 165487144) is methyl 2-[2-(4-acetamidophenyl)ethylamino]acetate.
What is the SMILES notation for methyl 2-[2-(4-acetamidophenyl)ethylamino]acetate?
The canonical SMILES for methyl 2-[2-(4-acetamidophenyl)ethylamino]acetate is COC(=O)CNCCc1ccc(NC(C)=O)cc1.
What is the InChIKey of methyl 2-[2-(4-acetamidophenyl)ethylamino]acetate?
The InChIKey is CTDVQTLHKYVBNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-10(16)15-12-5-3-11(4-6-12)7-8-14-9-13(17)18-2/h3-6,14H,7-9H2,1-2H3,(H,15,16).
What are the key properties of methyl 2-[2-(4-acetamidophenyl)ethylamino]acetate?
methyl 2-[2-(4-acetamidophenyl)ethylamino]acetate has a molecular weight of 250.30 g/mol, XLogP of 0.95, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-(4-acetamidophenyl)ethylamino]acetate is sourced from PubChem (CID 165487144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).