2-acetamidoethyl 2-phenylacetate

C12H15NO3 — CID 139889118

IUPAC2-acetamidoethyl 2-phenylacetate
SMILESCC(=O)NCCOC(=O)Cc1ccccc1
InChIInChI=1S/C12H15NO3/c1-10(14)13-7-8-16-12(15)9-11-5-3-2-4-6-11/h2-6H,7-9H2,1H3,(H,13,14)
InChIKeyCBTZKXHYNRNSQX-UHFFFAOYSA-N
MW221.26 g/mol
LogP0.91
Rot. Bonds5

About 2-acetamidoethyl 2-phenylacetate

2-acetamidoethyl 2-phenylacetate (PubChem CID 139889118) has the molecular formula C12H15NO3 and a molecular weight of 221.26 g/mol. Its IUPAC name is 2-acetamidoethyl 2-phenylacetate.

Molecular Properties

Compound Name2-acetamidoethyl 2-phenylacetate
PubChem CID139889118
Molecular FormulaC12H15NO3
Molecular Weight221.26 g/mol
Exact Mass221.11
IUPAC Name2-acetamidoethyl 2-phenylacetate
SMILESCC(=O)NCCOC(=O)Cc1ccccc1
InChIInChI=1S/C12H15NO3/c1-10(14)13-7-8-16-12(15)9-11-5-3-2-4-6-11/h2-6H,7-9H2,1H3,(H,13,14)
InChIKeyCBTZKXHYNRNSQX-UHFFFAOYSA-N
XLogP0.91
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-acetamidoethyl 2-phenylacetate 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

2-[(2-phenoxyacetyl)amino]ethyl 2-phenylacetate
CID 101151355
acetyloxymethyl 2-phenylacetate
CID 121486345
3-methylbutyl 2-phenylacetate
CID 7600
ethyl 2-phenylacetate
CID 7590
[(Z)-hex-3-enyl] 2-phenylacetate
CID 5367698
2-[(2-phenylacetyl)amino]ethyl 2-benzylsulfanylacetate
CID 125462748
(2S)-2-(2-acetamidoethoxycarbonylamino)-3-phenylpropanoic acid
CID 70045561
2-(dimethylamino)ethyl 2-phenylacetate;hydrochloride
CID 2930131
ethyl 2-phenylacetate;hydrate
CID 141257001
2-(pyridin-2-ylamino)ethyl 2-phenylacetate
CID 58460517
2-acetamidoethyl propanoate
CID 54208768
CID 172801156
CID 172801156

Frequently Asked Questions

What is the IUPAC name of 2-acetamidoethyl 2-phenylacetate?
The IUPAC name of 2-acetamidoethyl 2-phenylacetate (CID 139889118) is 2-acetamidoethyl 2-phenylacetate.
What is the SMILES notation for 2-acetamidoethyl 2-phenylacetate?
The canonical SMILES for 2-acetamidoethyl 2-phenylacetate is CC(=O)NCCOC(=O)Cc1ccccc1.
What is the InChIKey of 2-acetamidoethyl 2-phenylacetate?
The InChIKey is CBTZKXHYNRNSQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO3/c1-10(14)13-7-8-16-12(15)9-11-5-3-2-4-6-11/h2-6H,7-9H2,1H3,(H,13,14).
What are the key properties of 2-acetamidoethyl 2-phenylacetate?
2-acetamidoethyl 2-phenylacetate has a molecular weight of 221.26 g/mol, XLogP of 0.91, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamidoethyl 2-phenylacetate is sourced from PubChem (CID 139889118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).